(2S)-2-[(2-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-2-[(2-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-2-(o-tolylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-2-[(2-methylphenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-2-[(2-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-2-(2-methylbenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCC[NH2+]2)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[C@@]2(CCC[NH2+]2)C(=O)[O-]

InChI

InChI=1S/C13H17NO2/c1-10-5-2-3-6-11(10)9-13(12(15)16)7-4-8-14-13/h2-3,5-6,14H,4,7-9H2,1H3,(H,15,16)/t13-/m0/s1