1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C19H21BrN3OS+ MolecularWeight: 419.35854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)[NH+](C)CC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)[NH+](C)CC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C19H20BrN3OS/c1-12-8-9-15(14(20)10-12)22-19(24)13(2)23(3)11-18-21-16-6-4-5-7-17(16)25-18/h4-10,13H,11H2,1-3H3,(H,22,24)/p+1/t13-/m0/s1