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

Systemtic Name: methyl (2S,4S,5R)-4-(cyclopentylcarbamoyl)-1,2-dimethyl-5-(2-methylphenyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-4-(cyclopentylcarbamoyl)-1,2-dimethyl-5-(o-tolyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-4-[(cyclopentylamino)-oxomethyl]-1,2-dimethyl-5-(2-methylphenyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-4-(cyclopentylcarbamoyl)-1,2-dimethyl-5-(2-methylphenyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-4-(cyclopentylcarbamoyl)-1,2-dimethyl-5-(o-tolyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(CC([NH+]2C)(C)C(=O)OC)C(=O)NC3CCCC3

Isomeric SMILES

CC1=CC=CC=C1[C@H]2[C@H](C[C@@]([NH+]2C)(C)C(=O)OC)C(=O)NC3CCCC3

InChI

InChI=1S/C21H30N2O3/c1-14-9-5-8-12-16(14)18-17(19(24)22-15-10-6-7-11-15)13-21(2,23(18)3)20(25)26-4/h5,8-9,12,15,17-18H,6-7,10-11,13H2,1-4H3,(H,22,24)/p+1/t17-,18-,21-/m0/s1