2-methylpropyl 7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-methylpropyl 7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isobutyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-1-ium-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(4-pyridin-1-iumyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-1-ium-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-7-(4-methoxyphenyl)-2-methyl-4-pyridin-1-ium-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid isobutyl ester Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=[NH+]C=C4)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=[NH+]C=C4)C(=O)OCC(C)C

InChI

InChI=1S/C27H30N2O4/c1-16(2)15-33-27(31)24-17(3)29-22-13-20(18-5-7-21(32-4)8-6-18)14-23(30)26(22)25(24)19-9-11-28-12-10-19/h5-12,16,20,25,29H,13-15H2,1-4H3/p+1