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

Systemtic Name: [1-[(E)-4-(4-ethoxycarbonylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium bromide Openeye Name: [1-[(E)-4-(4-ethoxycarbonylpyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-oxo-ammonium bromide CAS Name: [1-[(E)-4-(4-ethoxycarbonyl-1-pyridin-1-iumyl)but-2-enyl]-4-pyridinylidene]methyl-oxoammonium bromide IUPAC Name: [1-[(E)-4-(4-ethoxycarbonylpyridin-1-ium-1-yl)but-2-enyl]pyridin-4-ylidene]methyl-oxoazanium bromide Traditional Name: [1-[(E)-4-(4-carbethoxypyridin-1-ium-1-yl)but-2-enyl]-4-pyridylidene]methyl-keto-ammonium bromide Formula: C18H21BrN3O3+ MolecularWeight: 407.28164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N3O3.BrH/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;1H/q+1;/b4-3+;