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

Systemtic Name: [1-[(E)-4-(4-ethoxycarbonylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[(E)-4-(4-ethoxycarbonylpyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[(E)-4-(4-ethoxycarbonyl-1-pyridin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[(E)-4-(4-ethoxycarbonylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[(E)-4-(4-carbethoxypyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C18H21Br2N3O3 MolecularWeight: 487.18564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N3O3.2BrH/c1-2-24-18(22)17-7-13-21(14-8-17)10-4-3-9-20-11-5-16(6-12-20)15-19-23;;/h3-8,11-15H,2,9-10H2,1H3;2*1H/q+1;;/p-1/b4-3+;;