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

Systemtic Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(pyrimidin-4-ylmethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(o-tolyl)-4-(pyrimidin-4-ylmethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-[oxo-(4-pyrimidinylmethylamino)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(pyrimidin-4-ylmethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-1,2-dimethyl-5-(o-tolyl)-4-(4-pyrimidylmethylcarbamoyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(CC([NH+]2C)(C)C(=O)OC)C(=O)NCC3=NC=NC=C3

Isomeric SMILES

CC1=CC=CC=C1[C@H]2[C@H](C[C@@]([NH+]2C)(C)C(=O)OC)C(=O)NCC3=NC=NC=C3

InChI

InChI=1S/C21H26N4O3/c1-14-7-5-6-8-16(14)18-17(11-21(2,25(18)3)20(27)28-4)19(26)23-12-15-9-10-22-13-24-15/h5-10,13,17-18H,11-12H2,1-4H3,(H,23,26)/p+1/t17-,18-,21-/m0/s1