ethyl 6-chloranyl-8-methyl-4-(phenethylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-8-methyl-4-(phenethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-chloro-8-methyl-4-(phenethylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-chloro-8-methyl-4-(phenethylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-8-methyl-4-(phenethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-chloro-8-methyl-4-(phenethylamino)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)NCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2/c1-3-26-21(25)18-13-24-19-14(2)11-16(22)12-17(19)20(18)23-10-9-15-7-5-4-6-8-15/h4-8,11-13H,3,9-10H2,1-2H3,(H,23,24)/p+1