[4-[2-(2-azanylbenzimidazol-1-yl)ethyl]-3-(trifluoromethyl)phenyl]-dimethyl-sulfino-azanium

Systemtic Name: [4-[2-(2-azanylbenzimidazol-1-yl)ethyl]-3-(trifluoromethyl)phenyl]-dimethyl-sulfino-azanium Openeye Name: [4-[2-(2-aminobenzimidazol-1-yl)ethyl]-3-(trifluoromethyl)phenyl]-dimethyl-sulfino-ammonium CAS Name: [4-[2-(2-amino-1-benzimidazolyl)ethyl]-3-(trifluoromethyl)phenyl]-dimethyl-sulfinoammonium IUPAC Name: [4-[2-(2-aminobenzimidazol-1-yl)ethyl]-3-(trifluoromethyl)phenyl]-dimethyl-sulfinoazanium Traditional Name: [4-[2-(2-aminobenzimidazol-1-yl)ethyl]-3-(trifluoromethyl)phenyl]-dimethyl-sulfino-ammonium Formula: C18H20F3N4O2S+ MolecularWeight: 413.43721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC(=C(C=C1)CCN2C3=CC=CC=C3N=C2N)C(F)(F)F)S(=O)O

Isomeric SMILES

C[N+](C)(C1=CC(=C(C=C1)CCN2C3=CC=CC=C3N=C2N)C(F)(F)F)S(=O)O

InChI

InChI=1S/C18H19F3N4O2S/c1-25(2,28(26)27)13-8-7-12(14(11-13)18(19,20)21)9-10-24-16-6-4-3-5-15(16)23-17(24)22/h3-8,11H,9-10H2,1-2H3,(H2-,22,23,26,27)/p+1