ethyl 2,7,7-trimethyl-4-(6-methylpyridin-1-ium-2-yl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2,7,7-trimethyl-4-(6-methylpyridin-1-ium-2-yl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2,7,7-trimethyl-4-(6-methylpyridin-1-ium-2-yl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-(6-methyl-2-pyridin-1-iumyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,7,7-trimethyl-4-(6-methylpyridin-1-ium-2-yl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(6-methylpyridin-1-ium-2-yl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=[NH+]C(=CC=C3)C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=[NH+]C(=CC=C3)C)(C)C)C

InChI

InChI=1S/C21H26N2O3/c1-6-26-20(25)17-13(3)23-15-10-21(4,5)11-16(24)18(15)19(17)14-9-7-8-12(2)22-14/h7-10,18-19,23H,6,11H2,1-5H3/p+1