methyl (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-[oxo-[2-(1-pyrazolyl)ethylamino]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H28FN4O3+ MolecularWeight: 403.470423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C([NH+]1C)C2=CC=C(C=C2)F)C(=O)NCCN3C=CC=N3)C(=O)OC

Isomeric SMILES

CC[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=C(C=C2)F)C(=O)NCCN3C=CC=N3)C(=O)OC

InChI

InChI=1S/C21H27FN4O3/c1-4-21(20(28)29-3)14-17(19(27)23-11-13-26-12-5-10-24-26)18(25(21)2)15-6-8-16(22)9-7-15/h5-10,12,17-18H,4,11,13-14H2,1-3H3,(H,23,27)/p+1/t17-,18-,21-/m0/s1