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

Systemtic Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]-N-phenyl-pyridin-1-ium-3-carboxamide Openeye Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]-N-phenyl-pyridin-1-ium-3-carboxamide CAS Name: 1-[3-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]propyl]-N-phenyl-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]-N-phenylpyridin-1-ium-3-carboxamide Traditional Name: 1-[3-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]propyl]-N-phenyl-pyridin-1-ium-3-carboxamide Formula: C21H22N4O2+2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2/c26-21(23-20-9-2-1-3-10-20)19-8-5-12-25(17-19)14-6-13-24-11-4-7-18(16-24)15-22-27/h1-5,7-12,15-17H,6,13-14H2/p+2/b22-15+