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

Systemtic Name: cyclopentyl 7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cyclopentyl 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 cyclopentyl ester IUPAC Name: cyclopentyl 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 cyclopentyl ester Formula: C28H31N2O4+ MolecularWeight: 459.55674

Click to see the large picture

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)OC5CCCC5

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=[NH+]C=C4)C(=O)OC5CCCC5

InChI

InChI=1S/C28H30N2O4/c1-17-25(28(32)34-22-5-3-4-6-22)26(19-11-13-29-14-12-19)27-23(30-17)15-20(16-24(27)31)18-7-9-21(33-2)10-8-18/h7-14,20,22,26,30H,3-6,15-16H2,1-2H3/p+1