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

Systemtic Name: [1-[(E)-4-isoquinolin-2-ium-2-ylbut-2-enyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium bromide Openeye Name: [1-[(E)-4-isoquinolin-2-ium-2-ylbut-2-enyl]-4-pyridylidene]methyl-oxo-ammonium bromide CAS Name: [1-[(E)-4-(2-isoquinolin-2-iumyl)but-2-enyl]-4-pyridinylidene]methyl-oxoammonium bromide IUPAC Name: [1-[(E)-4-isoquinolin-2-ium-2-ylbut-2-enyl]pyridin-4-ylidene]methyl-oxoazanium bromide Traditional Name: [1-[(E)-4-isoquinolin-2-ium-2-ylbut-2-enyl]-4-pyridylidene]methyl-keto-ammonium bromide Formula: C19H19BrN3O+ MolecularWeight: 385.27766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC=CCN3C=CC(=C[NH+]=O)C=C3.[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)C/C=C/CN3C=CC(=C[NH+]=O)C=C3.[Br-]

InChI

InChI=1S/C19H18N3O.BrH/c23-20-15-17-7-12-21(13-8-17)10-3-4-11-22-14-9-18-5-1-2-6-19(18)16-22;/h1-9,12-16H,10-11H2;1H/q+1;/b4-3+;