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

Systemtic Name: ethyl 7-(4-methoxyphenyl)-2-methylidene-5-oxidanylidene-4-pyridin-1-ium-4-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 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=[NH+]C=C4

Isomeric SMILES

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

InChI

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