ethyl 1-[[4-[(3-ethoxycarbonylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-[[4-[(3-ethoxycarbonylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-[[4-[(3-ethoxycarbonylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[[4-[(3-ethoxycarbonyl-1-pyridin-1-iumyl)methyl]phenyl]methyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-[(3-ethoxycarbonylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[4-[(3-carbethoxypyridin-1-ium-1-yl)methyl]benzyl]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C24H26N2O4+2 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=CC=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC(=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC(=C3)C(=O)OCC

InChI

InChI=1S/C24H26N2O4/c1-3-29-23(27)21-7-5-13-25(17-21)15-19-9-11-20(12-10-19)16-26-14-6-8-22(18-26)24(28)30-4-2/h5-14,17-18H,3-4,15-16H2,1-2H3/q+2