[1-[(E)-4-(4-cyanopyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium bromide

Systemtic Name: [1-[(E)-4-(4-cyanopyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium bromide Openeye Name: [1-[(E)-4-(4-cyanopyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-oxo-ammonium bromide CAS Name: [1-[(E)-4-(4-cyano-1-pyridin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl-oxoammonium bromide IUPAC Name: [1-[(E)-4-(4-cyanopyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxoazanium bromide Traditional Name: [1-[(E)-4-(4-cyanopyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-keto-ammonium bromide Formula: C16H16BrN4O+ MolecularWeight: 360.22844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N4O.BrH/c17-13-15-3-9-19(10-4-15)7-1-2-8-20-11-5-16(6-12-20)14-18-21;/h1-6,9-12,14H,7-8H2;1H/q+1;/b2-1+;