1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxidanylidene-propyl]-N-(2-methylpropyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxidanylidene-propyl]-N-(2-methylpropyl)pyridin-1-ium-3-carboxamide Openeye Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxo-propyl]-N-isobutyl-pyridin-1-ium-3-carboxamide CAS Name: 1-[3-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]-2-oxopropyl]-N-(2-methylpropyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxopropyl]-N-(2-methylpropyl)pyridin-1-ium-3-carboxamide Traditional Name: 1-[3-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]-2-keto-propyl]-N-isobutyl-pyridin-1-ium-3-carboxamide Formula: C19H24N4O3+2 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C[N+](=CC=C1)CC(=O)C[N+]2=CC=CC(=C2)C=NO

Isomeric SMILES

CC(C)CNC(=O)C1=C[N+](=CC=C1)CC(=O)C[N+]2=CC=CC(=C2)/C=N/O

InChI

InChI=1S/C19H22N4O3/c1-15(2)9-20-19(25)17-6-4-8-23(12-17)14-18(24)13-22-7-3-5-16(11-22)10-21-26/h3-8,10-12,15H,9,13-14H2,1-2H3/p+2/b21-10+