ethyl 1-(1H-benzimidazol-2-ylamino)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(1H-benzimidazol-2-ylamino)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-ylamino)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylamino)-3-[(4-fluorophenyl)methyl]-1-pyrrolidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-ylamino)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylamino)-3-(4-fluorobenzyl)pyrrolidin-1-ium-1-carboxylic acid ethyl ester Formula: C21H24FN4O2+ MolecularWeight: 383.439263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCC(C1)CC2=CC=C(C=C2)F)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)[N+]1(CCC(C1)CC2=CC=C(C=C2)F)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H24FN4O2/c1-2-28-21(27)26(25-20-23-18-5-3-4-6-19(18)24-20)12-11-16(14-26)13-15-7-9-17(22)10-8-15/h3-10,16H,2,11-14H2,1H3,(H2,23,24,25)/q+1