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

Systemtic Name: [1-[(E)-4-(4-methylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium bromide Openeye Name: [1-[(E)-4-(4-methylpyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-oxo-ammonium bromide CAS Name: [1-[(E)-4-(4-methyl-1-pyridin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl-oxoammonium bromide IUPAC Name: [1-[(E)-4-(4-methylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxoazanium bromide Traditional Name: keto-[[1-[(E)-4-(4-methylpyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl]ammonium bromide Formula: C16H19BrN3O+ MolecularWeight: 349.24556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC=CCN2C=CC(=C[NH+]=O)C=C2.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)C/C=C/CN2C=CC(=C[NH+]=O)C=C2.[Br-]

InChI

InChI=1S/C16H18N3O.BrH/c1-15-4-10-18(11-5-15)8-2-3-9-19-12-6-16(7-13-19)14-17-20;/h2-7,10-14H,8-9H2,1H3;1H/q+1;/b3-2+;