HI6

4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM

Created:	2006-05-15
Last modified:	2020-06-05

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17 entries where HI6 is found as a standalone ligand

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Chemical Details
Formal Charge	2
Atom Count	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	12

2D diagram of HI6

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Chemical Component Summary
Name	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM
Synonyms	1-(2-HYDROXY-IMINOMETHYLPYRIDINIUM)-1-(4-CARBOXYAMINO)-PYRIDINIUM DIMETHYLETHER
Systematic Name (OpenEye OEToolkits)	1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide
Formula	C₁₄ H₁₆ N₄ O₃
Molecular Weight	288.302
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N)c1cc[n+](cc1)COC[n+]2ccccc2\C=N\O
SMILES	CACTVS	3.341	NC(=O)c1cc[n+](COC[n+]2ccccc2C=NO)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N
Canonical SMILES	CACTVS	3.341	NC(=O)c1cc[n+](COC[n+]2ccccc2\C=N\O)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc[n+](c(c1)\C=N\O)COC[n+]2ccc(cc2)C(=O)N
InChI	InChI	1.03	InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2
InChIKey	InChI	1.03	FJZDLOMCEPUCII-UHFFFAOYSA-P

Related Resource References

Resource Name	Reference
PubChem	101826767, 6818286, 91615, 135412778, 135590423
ChEMBL	CHEMBL385181
CCDC/CSD	BIKRES01, FAKNIO

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