2-[[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl-[(2-methyl-1,3-thiazol-4-yl)carbonyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl-[(2-methyl-1,3-thiazol-4-yl)carbonyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-methoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl-(2-methylthiazole-4-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(4-methoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl-[(2-methyl-4-thiazolyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(4-methoxyphenyl)-7-(methylthio)-3-quinolyl]methyl-(2-methylthiazole-4-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C27H31N4O2S2+ MolecularWeight: 507.69064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(=O)N(CC[NH+](C)C)CC2=C(N=C3C=C(C=CC3=C2)SC)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC(=CS1)C(=O)N(CC[NH+](C)C)CC2=C(N=C3C=C(C=CC3=C2)SC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H30N4O2S2/c1-18-28-25(17-35-18)27(32)31(13-12-30(2)3)16-21-14-20-8-11-23(34-5)15-24(20)29-26(21)19-6-9-22(33-4)10-7-19/h6-11,14-15,17H,12-13,16H2,1-5H3/p+1