[2-[2-(4-bromophenyl)ethanoylamino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl-dimethyl-azanium

Systemtic Name: [2-[2-(4-bromophenyl)ethanoylamino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl-dimethyl-azanium Openeye Name: [2-[[2-(4-bromophenyl)acetyl]amino]-4-(p-tolyl)thiazol-5-yl]methyl-dimethyl-ammonium CAS Name: [2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-4-(4-methylphenyl)-5-thiazolyl]methyl-dimethylammonium IUPAC Name: [2-[[2-(4-bromophenyl)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl-dimethylazanium Traditional Name: [2-[[2-(4-bromophenyl)acetyl]amino]-4-(p-tolyl)thiazol-5-yl]methyl-dimethyl-ammonium Formula: C21H23BrN3OS+ MolecularWeight: 445.39582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CC3=CC=C(C=C3)Br)C[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CC3=CC=C(C=C3)Br)C[NH+](C)C

InChI

InChI=1S/C21H22BrN3OS/c1-14-4-8-16(9-5-14)20-18(13-25(2)3)27-21(24-20)23-19(26)12-15-6-10-17(22)11-7-15/h4-11H,12-13H2,1-3H3,(H,23,24,26)/p+1