(4Z)-N-(3,4-dimethylphenyl)-7,7-dimethyl-6-oxidanylidene-4-(2-pyridin-1-ium-1-ylethanoylhydrazinylidene)octanamide bromide

Systemtic Name: (4Z)-N-(3,4-dimethylphenyl)-7,7-dimethyl-6-oxidanylidene-4-(2-pyridin-1-ium-1-ylethanoylhydrazinylidene)octanamide bromide Openeye Name: (4Z)-N-(3,4-dimethylphenyl)-7,7-dimethyl-6-oxo-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]octanamide bromide CAS Name: (4Z)-N-(3,4-dimethylphenyl)-7,7-dimethyl-6-oxo-4-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]hydrazinylidene]octanamide bromide IUPAC Name: (4Z)-N-(3,4-dimethylphenyl)-7,7-dimethyl-6-oxo-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]octanamide bromide Traditional Name: (4Z)-N-(3,4-dimethylphenyl)-6-keto-7,7-dimethyl-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]caprylamide bromide Formula: C25H33BrN4O3 MolecularWeight: 517.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C[N+]2=CC=CC=C2)CC(=O)C(C)(C)C)C.[Br-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC/C(=N/NC(=O)C[N+]2=CC=CC=C2)/CC(=O)C(C)(C)C)C.[Br-]

InChI

InChI=1S/C25H32N4O3.BrH/c1-18-9-10-20(15-19(18)2)26-23(31)12-11-21(16-22(30)25(3,4)5)27-28-24(32)17-29-13-7-6-8-14-29;/h6-10,13-15H,11-12,16-17H2,1-5H3,(H-,26,28,31,32);1H/b27-21-;