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

Systemtic Name: 3-methyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-methyl-4-(4-nitrophenyl)-N-phenyl-thiazol-3-ium-2-amine bromide CAS Name: 3-methyl-4-(4-nitrophenyl)-N-phenyl-2-thiazol-3-iumamine bromide IUPAC Name: 3-methyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-methyl-4-(4-nitrophenyl)thiazol-3-ium-2-yl]-phenyl-amine bromide Formula: C16H14BrN3O2S MolecularWeight: 392.27026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C16H13N3O2S.BrH/c1-18-15(12-7-9-14(10-8-12)19(20)21)11-22-16(18)17-13-5-3-2-4-6-13;/h2-11H,1H3;1H