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

Systemtic Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxidanylidene-propyl]-N-phenyl-pyridin-1-ium-3-carboxamide dichloride Openeye Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxo-propyl]-N-phenyl-pyridin-1-ium-3-carboxamide dichloride CAS Name: 1-[3-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]-2-oxopropyl]-N-phenyl-3-pyridin-1-iumcarboxamide dichloride IUPAC Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxopropyl]-N-phenylpyridin-1-ium-3-carboxamide dichloride Traditional Name: 1-[3-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]-2-keto-propyl]-N-phenyl-pyridin-1-ium-3-carboxamide dichloride Formula: C21H20Cl2N4O3 MolecularWeight: 447.3145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CC(=O)C[N+]3=CC=CC(=C3)C=NO.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CC(=O)C[N+]3=CC=CC(=C3)/C=N/O.[Cl-].[Cl-]

InChI

InChI=1S/C21H18N4O3.2ClH/c26-20(15-24-10-4-6-17(13-24)12-22-28)16-25-11-5-7-18(14-25)21(27)23-19-8-2-1-3-9-19;;/h1-14H,15-16H2;2*1H/b22-12+;;