methyl (2S,4S)-4-(cyclohexylcarbonylamino)-1-[(3-fluorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(cyclohexylcarbonylamino)-1-[(3-fluorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(cyclohexanecarbonylamino)-1-[(3-fluorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[cyclohexyl(oxo)methyl]amino]-1-[(3-fluorophenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(cyclohexanecarbonylamino)-1-[(3-fluorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(cyclohexanecarbonylamino)-1-(3-fluorobenzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C20H28FN2O3+ MolecularWeight: 363.446323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CC2=CC(=CC=C2)F)NC(=O)C3CCCCC3

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH+]1CC2=CC(=CC=C2)F)NC(=O)C3CCCCC3

InChI

InChI=1S/C20H27FN2O3/c1-26-20(25)18-11-17(22-19(24)15-7-3-2-4-8-15)13-23(18)12-14-6-5-9-16(21)10-14/h5-6,9-10,15,17-18H,2-4,7-8,11-13H2,1H3,(H,22,24)/p+1/t17-,18-/m0/s1