methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(3-pyridin-4-ylpropylcarbamoyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(3-pyridin-4-ylpropylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(o-tolyl)-4-[3-(4-pyridyl)propylcarbamoyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-[oxo-(3-pyridin-4-ylpropylamino)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(3-pyridin-4-ylpropylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-1,2-dimethyl-5-(o-tolyl)-4-[3-(4-pyridyl)propylcarbamoyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(CC([NH+]2C)(C)C(=O)OC)C(=O)NCCCC3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC=C1[C@H]2[C@H](C[C@@]([NH+]2C)(C)C(=O)OC)C(=O)NCCCC3=CC=NC=C3

InChI

InChI=1S/C24H31N3O3/c1-17-8-5-6-10-19(17)21-20(16-24(2,27(21)3)23(29)30-4)22(28)26-13-7-9-18-11-14-25-15-12-18/h5-6,8,10-12,14-15,20-21H,7,9,13,16H2,1-4H3,(H,26,28)/p+1/t20-,21-,24-/m0/s1