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

Systemtic Name: cyclohexyl 7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4-pyridin-1-ium-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C29H33N2O4+ MolecularWeight: 473.58332

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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)OC5CCCCC5

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=[NH+]C=C4)C(=O)OC5CCCCC5

InChI

InChI=1S/C29H32N2O4/c1-18-26(29(33)35-23-6-4-3-5-7-23)27(20-12-14-30-15-13-20)28-24(31-18)16-21(17-25(28)32)19-8-10-22(34-2)11-9-19/h8-15,21,23,27,31H,3-7,16-17H2,1-2H3/p+1