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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-[[2-(2-thienyl)thiazol-4-yl]methyl]ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(2-thiophen-2-yl-4-thiazolyl)methyl]ammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]azanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-[[2-(2-thienyl)thiazol-4-yl]methyl]ammonium Formula: C18H19BrN3OS2+ MolecularWeight: 437.39696

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=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2=CSC(=N2)C3=CC=CS3

InChI

InChI=1S/C18H18BrN3OS2/c1-12-8-13(19)5-6-15(12)21-17(23)10-22(2)9-14-11-25-18(20-14)16-4-3-7-24-16/h3-8,11H,9-10H2,1-2H3,(H,21,23)/p+1