ethyl 6,8-dimethyl-4-[methyl-(phenylmethyl)amino]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6,8-dimethyl-4-[methyl-(phenylmethyl)amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[benzyl(methyl)amino]-6,8-dimethyl-quinolin-1-ium-3-carboxylate CAS Name: 6,8-dimethyl-4-[methyl-(phenylmethyl)amino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[benzyl(methyl)amino]-6,8-dimethylquinolin-1-ium-3-carboxylate Traditional Name: 4-[benzyl(methyl)amino]-6,8-dimethyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C22H25N2O2+ MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)C)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)C)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O2/c1-5-26-22(25)19-13-23-20-16(3)11-15(2)12-18(20)21(19)24(4)14-17-9-7-6-8-10-17/h6-13H,5,14H2,1-4H3/p+1