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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=CC1=CN=O)CC=CC[N+]2=CC=C(C=C2)C(=O)N.[Br-]

Isomeric SMILES

C1=CN(C=CC1=CN=O)C/C=C/C[N+]2=CC=C(C=C2)C(=O)N.[Br-]

InChI

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