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

Systemtic Name: ethyl 7-(4-methoxyphenyl)-2-methylidene-5-oxidanylidene-4-pyridin-1-ium-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4/c1-4-31-25(29)22-15(2)27-20-13-17(16-8-10-18(30-3)11-9-16)14-21(28)23(20)24(22)19-7-5-6-12-26-19/h5-12,17,22,24,27H,2,4,13-14H2,1,3H3/p+1