methyl (2S,4S,5R)-4-(cyclohexylmethylcarbamoyl)-5-(2-fluorophenyl)-1-methyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-4-(cyclohexylmethylcarbamoyl)-5-(2-fluorophenyl)-1-methyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-4-(cyclohexylmethylcarbamoyl)-5-(2-fluorophenyl)-1-methyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-4-[(cyclohexylmethylamino)-oxomethyl]-5-(2-fluorophenyl)-1-methyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-4-(cyclohexylmethylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-4-(cyclohexylmethylcarbamoyl)-5-(2-fluorophenyl)-1-methyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H30FN2O3+ MolecularWeight: 377.472903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(CC(C1C2=CC=CC=C2F)C(=O)NCC3CCCCC3)C(=O)OC

Isomeric SMILES

C[NH+]1[C@@H](C[C@@H]([C@@H]1C2=CC=CC=C2F)C(=O)NCC3CCCCC3)C(=O)OC

InChI

InChI=1S/C21H29FN2O3/c1-24-18(21(26)27-2)12-16(19(24)15-10-6-7-11-17(15)22)20(25)23-13-14-8-4-3-5-9-14/h6-7,10-11,14,16,18-19H,3-5,8-9,12-13H2,1-2H3,(H,23,25)/p+1/t16-,18-,19-/m0/s1