1-[(E)-4-[4-(nitrosomethylidene)pyridin-1-yl]but-2-enyl]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(E)-4-[4-(nitrosomethylidene)pyridin-1-yl]but-2-enyl]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-benzyl-1-[(E)-4-[4-(nitrosomethylene)-1-pyridyl]but-2-enyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(E)-4-[4-(nitrosomethylidene)-1-pyridinyl]but-2-enyl]-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(E)-4-[4-(nitrosomethylidene)pyridin-1-yl]but-2-enyl]pyridin-1-ium-3-carboxamide Traditional Name: N-benzyl-1-[(E)-4-[4-(nitrosomethylene)-1-pyridyl]but-2-enyl]pyridin-1-ium-3-carboxamide Formula: C23H23N4O2+ MolecularWeight: 387.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)CC=CCN3C=CC(=CN=O)C=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)C/C=C/CN3C=CC(=CN=O)C=C3

InChI

InChI=1S/C23H22N4O2/c28-23(24-17-20-7-2-1-3-8-20)22-9-6-14-27(19-22)13-5-4-12-26-15-10-21(11-16-26)18-25-29/h1-11,14-16,18-19H,12-13,17H2/p+1/b5-4+