N-phenethyl-2-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]ethanamide

Systemtic Name: N-phenethyl-2-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]ethanamide Openeye Name: N-phenethyl-2-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]acetamide CAS Name: N-phenethyl-2-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]acetamide IUPAC Name: N-phenethyl-2-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]acetamide Traditional Name: N-phenethyl-2-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]acetamide Formula: C18H17F3N3O+ MolecularWeight: 348.34229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C[N+]2=C(NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C[N+]2=C(NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O/c19-18(20,21)17-23-14-8-4-5-9-15(14)24(17)12-16(25)22-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,22,25)/p+1