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

Systemtic Name: phenethyl 7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C31H31N2O4+ MolecularWeight: 495.58884

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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)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=[NH+]C=C4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C31H30N2O4/c1-20-28(31(35)37-17-14-21-6-4-3-5-7-21)29(23-12-15-32-16-13-23)30-26(33-20)18-24(19-27(30)34)22-8-10-25(36-2)11-9-22/h3-13,15-16,24,29,33H,14,17-19H2,1-2H3/p+1