[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-[(2-phenylthiazol-4-yl)methyl]ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(2-phenyl-4-thiazolyl)methyl]ammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-[(2-phenylthiazol-4-yl)methyl]ammonium Formula: C20H21BrN3OS+ MolecularWeight: 431.36924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H20BrN3OS/c1-14-10-16(21)8-9-18(14)23-19(25)12-24(2)11-17-13-26-20(22-17)15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,23,25)/p+1