(2R,3S)-2-(2-methylphenyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: (2R,3S)-2-(2-methylphenyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: (2R,3S)-2-(o-tolyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (2R,3S)-2-(2-methylphenyl)-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R,3S)-2-(2-methylphenyl)pyrrolidin-1-ium-3-carboxylate Traditional Name: (2R,3S)-2-(o-tolyl)pyrrolidin-1-ium-3-carboxylate Formula: C12H15NO2 MolecularWeight: 205.253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(CC[NH2+]2)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1[C@H]2[C@H](CC[NH2+]2)C(=O)[O-]

InChI

InChI=1S/C12H15NO2/c1-8-4-2-3-5-9(8)11-10(12(14)15)6-7-13-11/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11-/m0/s1