2-methylpropyl 7-(4-methoxyphenyl)-2-methylidene-5-oxidanylidene-4-pyridin-1-ium-4-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)OC)NC1=C)C4=CC=[NH+]C=C4

Isomeric SMILES

CC(C)COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)OC)NC1=C)C4=CC=[NH+]C=C4

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/h5-12,16,20,24-25,29H,3,13-15H2,1-2,4H3/p+1