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

Systemtic Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]quinolin-1-ium-3-carboxylate CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]quinolin-1-ium-3-carboxylate Traditional Name: 4-(homoveratrylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-4-28-22(25)17-14-24-18-8-6-5-7-16(18)21(17)23-12-11-15-9-10-19(26-2)20(13-15)27-3/h5-10,13-14H,4,11-12H2,1-3H3,(H,23,24)/p+1