ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6,8-dimethyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6,8-dimethyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6,8-dimethyl-quinolin-1-ium-3-carboxylate CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6,8-dimethyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6,8-dimethylquinolin-1-ium-3-carboxylate Traditional Name: 4-(homoveratrylamino)-6,8-dimethyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)C)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)C)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H28N2O4/c1-6-30-24(27)19-14-26-22-16(3)11-15(2)12-18(22)23(19)25-10-9-17-7-8-20(28-4)21(13-17)29-5/h7-8,11-14H,6,9-10H2,1-5H3,(H,25,26)/p+1