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

Systemtic Name: oxidanylidene-[[1-[(E)-4-(4-phenylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl]azanium bromide Openeye Name: oxo-[[1-[(E)-4-(4-phenylpyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl]ammonium bromide CAS Name: oxo-[[1-[(E)-4-(4-phenyl-1-pyridin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl]ammonium bromide IUPAC Name: oxo-[[1-[(E)-4-(4-phenylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl]azanium bromide Traditional Name: keto-[[1-[(E)-4-(4-phenylpyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl]ammonium bromide Formula: C21H21BrN3O+ MolecularWeight: 411.31494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC=CCN3C=CC(=C[NH+]=O)C=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)C/C=C/CN3C=CC(=C[NH+]=O)C=C3.[Br-]

InChI

InChI=1S/C21H20N3O.BrH/c25-22-18-19-8-14-23(15-9-19)12-4-5-13-24-16-10-21(11-17-24)20-6-2-1-3-7-20;/h1-11,14-18H,12-13H2;1H/q+1;/b5-4+;