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

Systemtic Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(2-methylpropylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-4-(isobutylcarbamoyl)-1,2-dimethyl-5-(o-tolyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-[(2-methylpropylamino)-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(2-methylpropylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-4-(isobutylcarbamoyl)-1,2-dimethyl-5-(o-tolyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-13(2)12-21-18(23)16-11-20(4,19(24)25-6)22(5)17(16)15-10-8-7-9-14(15)3/h7-10,13,16-17H,11-12H2,1-6H3,(H,21,23)/p+1/t16-,17-,20-/m0/s1