dimethyl-[2-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]carbonyl-(phenylmethyl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]carbonyl-(phenylmethyl)amino]ethyl]azanium Openeye Name: 2-[benzyl-[2-(4-methylanilino)thiazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[[2-(4-methylanilino)-4-thiazolyl]-oxomethyl]-(phenylmethyl)amino]ethyl]ammonium IUPAC Name: 2-[benzyl-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[2-(p-toluidino)thiazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)C(=O)N(CC[NH+](C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)C(=O)N(CC[NH+](C)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-17-9-11-19(12-10-17)23-22-24-20(16-28-22)21(27)26(14-13-25(2)3)15-18-7-5-4-6-8-18/h4-12,16H,13-15H2,1-3H3,(H,23,24)/p+1