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

Systemtic Name: propan-2-yl 7-(4-methoxyphenyl)-2-methylidene-5-oxidanylidene-4-pyridin-1-ium-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: isopropyl 7-(4-methoxyphenyl)-2-methylene-5-oxo-4-pyridin-1-ium-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 7-(4-methoxyphenyl)-2-methylene-5-oxo-4-(2-pyridin-1-iumyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 7-(4-methoxyphenyl)-2-methylidene-5-oxo-4-pyridin-1-ium-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-7-(4-methoxyphenyl)-2-methylene-4-pyridin-1-ium-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid isopropyl ester Formula: C26H29N2O4+ MolecularWeight: 433.51946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)OC)NC1=C)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)OC(=O)C1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)OC)NC1=C)C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H28N2O4/c1-15(2)32-26(30)23-16(3)28-21-13-18(17-8-10-19(31-4)11-9-17)14-22(29)24(21)25(23)20-7-5-6-12-27-20/h5-12,15,18,23,25,28H,3,13-14H2,1-2,4H3/p+1