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

Systemtic Name: methyl (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-(pyrimidin-4-ylmethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-(pyrimidin-4-ylmethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-[oxo-(4-pyrimidinylmethylamino)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-(pyrimidin-4-ylmethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-2-ethyl-5-(4-fluorophenyl)-1-methyl-4-(4-pyrimidylmethylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H26FN4O3+ MolecularWeight: 401.454543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C([NH+]1C)C2=CC=C(C=C2)F)C(=O)NCC3=NC=NC=C3)C(=O)OC

Isomeric SMILES

CC[C@]1(C[C@@H]([C@@H]([NH+]1C)C2=CC=C(C=C2)F)C(=O)NCC3=NC=NC=C3)C(=O)OC

InChI

InChI=1S/C21H25FN4O3/c1-4-21(20(28)29-3)11-17(19(27)24-12-16-9-10-23-13-25-16)18(26(21)2)14-5-7-15(22)8-6-14/h5-10,13,17-18H,4,11-12H2,1-3H3,(H,24,27)/p+1/t17-,18-,21-/m0/s1