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

Systemtic Name: ethyl 6-chloranyl-8-methyl-4-[methyl-(phenylmethyl)amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[benzyl(methyl)amino]-6-chloro-8-methyl-quinolin-1-ium-3-carboxylate CAS Name: 6-chloro-8-methyl-4-[methyl-(phenylmethyl)amino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[benzyl(methyl)amino]-6-chloro-8-methylquinolin-1-ium-3-carboxylate Traditional Name: 4-[benzyl(methyl)amino]-6-chloro-8-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C21H22ClN2O2+ MolecularWeight: 369.86458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2/c1-4-26-21(25)18-12-23-19-14(2)10-16(22)11-17(19)20(18)24(3)13-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3/p+1