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

Systemtic Name: 1-[(E)-4-[4-(nitrosomethylidene)pyridin-1-yl]but-2-enyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[(E)-4-[4-(nitrosomethylene)-1-pyridyl]but-2-enyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[(E)-4-[4-(nitrosomethylidene)-1-pyridinyl]but-2-enyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[(E)-4-[4-(nitrosomethylidene)pyridin-1-yl]but-2-enyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[(E)-4-[4-(nitrosomethylene)-1-pyridyl]but-2-enyl]pyridin-1-ium-3-carboxamide bromide Formula: C16H17BrN4O2 MolecularWeight: 377.23578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2.BrH/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);1H/b2-1+;