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

Systemtic Name: 1-[(E)-4-[4-(nitrosomethylidene)pyridin-1-yl]but-2-enyl]pyridin-1-ium-3-carboxamide Openeye Name: 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]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(E)-4-[4-(nitrosomethylidene)pyridin-1-yl]but-2-enyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(E)-4-[4-(nitrosomethylene)-1-pyridyl]but-2-enyl]pyridin-1-ium-3-carboxamide Formula: C16H17N4O2+ MolecularWeight: 297.33178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC=CCN2C=CC(=CN=O)C=C2)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)C/C=C/CN2C=CC(=CN=O)C=C2)C(=O)N

InChI

InChI=1S/C16H16N4O2/c17-16(21)15-4-3-9-20(13-15)8-2-1-7-19-10-5-14(6-11-19)12-18-22/h1-6,9-13H,7-8H2,(H-,17,21)/p+1/b2-1+