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

Systemtic Name: oxidanylidene-[[1-[(E)-4-pyridin-1-ium-1-ylbut-2-enyl]pyridin-4-ylidene]methyl]azanium bromide Openeye Name: oxo-[[1-[(E)-4-pyridin-1-ium-1-ylbut-2-enyl]-4-pyridylidene]methyl]ammonium bromide CAS Name: oxo-[[1-[(E)-4-(1-pyridin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl]ammonium bromide IUPAC Name: oxo-[[1-[(E)-4-pyridin-1-ium-1-ylbut-2-enyl]pyridin-4-ylidene]methyl]azanium bromide Traditional Name: keto-[[1-[(E)-4-pyridin-1-ium-1-ylbut-2-enyl]-4-pyridylidene]methyl]ammonium bromide Formula: C15H17BrN3O+ MolecularWeight: 335.21898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N3O.BrH/c19-16-14-15-6-12-18(13-7-15)11-5-4-10-17-8-2-1-3-9-17;/h1-9,12-14H,10-11H2;1H/q+1;/b5-4+;