methyl (2S,4S)-4-[(2-fluorophenyl)carbonylamino]-1-(1-phenethylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[(2-fluorophenyl)carbonylamino]-1-(1-phenethylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-[(2-fluorobenzoyl)amino]-1-(1-phenethyl-4-piperidyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[(2-fluorophenyl)-oxomethyl]amino]-1-(1-phenethyl-4-piperidinyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[(2-fluorobenzoyl)amino]-1-(1-phenethylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-[(2-fluorobenzoyl)amino]-1-(1-phenethyl-4-piperidyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C26H33FN3O3+ MolecularWeight: 454.556923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1C2CCN(CC2)CCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH+]1C2CCN(CC2)CCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H32FN3O3/c1-33-26(32)24-17-20(28-25(31)22-9-5-6-10-23(22)27)18-30(24)21-12-15-29(16-13-21)14-11-19-7-3-2-4-8-19/h2-10,20-21,24H,11-18H2,1H3,(H,28,31)/p+1/t20-,24-/m0/s1