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

Systemtic Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(2-methylsulfanylethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5R)-1,2-dimethyl-4-(2-methylsulfanylethylcarbamoyl)-5-(o-tolyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-[[2-(methylthio)ethylamino]-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-1,2-dimethyl-5-(2-methylphenyl)-4-(2-methylsulfanylethylcarbamoyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5R)-1,2-dimethyl-4-[2-(methylthio)ethylcarbamoyl]-5-(o-tolyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C19H29N2O3S+ MolecularWeight: 365.51016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3S/c1-13-8-6-7-9-14(13)16-15(17(22)20-10-11-25-5)12-19(2,21(16)3)18(23)24-4/h6-9,15-16H,10-12H2,1-5H3,(H,20,22)/p+1/t15-,16-,19-/m0/s1