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

Systemtic Name: ethyl 6-chloranyl-8-methyl-4-[(phenylmethyl)amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(benzylamino)-6-chloro-8-methyl-quinolin-1-ium-3-carboxylate CAS Name: 6-chloro-8-methyl-4-[(phenylmethyl)amino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzylamino)-6-chloro-8-methylquinolin-1-ium-3-carboxylate Traditional Name: 4-(benzylamino)-6-chloro-8-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H20ClN2O2+ MolecularWeight: 355.838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NCC3=CC=CC=C3

InChI

InChI=1S/C20H19ClN2O2/c1-3-25-20(24)17-12-23-18-13(2)9-15(21)10-16(18)19(17)22-11-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,22,23)/p+1