4-(4-nitrophenyl)-N-phenyl-3-(phenylmethyl)-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 4-(4-nitrophenyl)-N-phenyl-3-(phenylmethyl)-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-benzyl-4-(4-nitrophenyl)-N-phenyl-thiazol-3-ium-2-amine bromide CAS Name: 4-(4-nitrophenyl)-N-phenyl-3-(phenylmethyl)-2-thiazol-3-iumamine bromide IUPAC Name: 3-benzyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-benzyl-4-(4-nitrophenyl)thiazol-3-ium-2-yl]-phenyl-amine bromide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(SC=C2C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(SC=C2C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H17N3O2S.BrH/c26-25(27)20-13-11-18(12-14-20)21-16-28-22(23-19-9-5-2-6-10-19)24(21)15-17-7-3-1-4-8-17;/h1-14,16H,15H2;1H