(2S,3S,5S)-5-methoxycarbonyl-1,5-dimethyl-2-(2-methylphenyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: (2S,3S,5S)-5-methoxycarbonyl-1,5-dimethyl-2-(2-methylphenyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: (2S,3S,5S)-5-methoxycarbonyl-1,5-dimethyl-2-(o-tolyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (2S,3S,5S)-5-methoxycarbonyl-1,5-dimethyl-2-(2-methylphenyl)-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,3S,5S)-5-methoxycarbonyl-1,5-dimethyl-2-(2-methylphenyl)pyrrolidin-1-ium-3-carboxylate Traditional Name: (2S,3S,5S)-5-carbomethoxy-1,5-dimethyl-2-(o-tolyl)pyrrolidin-1-ium-3-carboxylate Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-10-7-5-6-8-11(10)13-12(14(18)19)9-16(2,17(13)3)15(20)21-4/h5-8,12-13H,9H2,1-4H3,(H,18,19)/t12-,13+,16-/m0/s1