3-[4-(4-bromophenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[4-(4-bromophenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-anilino-4-(4-bromophenyl)thiazol-3-ium-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-anilino-4-(4-bromophenyl)-3-thiazol-3-iumyl]propyl-dimethylammonium IUPAC Name: 3-[2-anilino-4-(4-bromophenyl)-1,3-thiazol-3-ium-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-anilino-4-(4-bromophenyl)thiazol-3-ium-3-yl]propyl-dimethyl-ammonium Formula: C20H24BrN3S+2 MolecularWeight: 418.39366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[N+]1=C(SC=C1C2=CC=C(C=C2)Br)NC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCC[N+]1=C(SC=C1C2=CC=C(C=C2)Br)NC3=CC=CC=C3

InChI

InChI=1S/C20H22BrN3S/c1-23(2)13-6-14-24-19(16-9-11-17(21)12-10-16)15-25-20(24)22-18-7-4-3-5-8-18/h3-5,7-12,15H,6,13-14H2,1-2H3/p+2