(2S,4R)-4-[(4-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S,4R)-4-[(4-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S,4R)-4-(p-tolylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[(4-methylphenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,4R)-4-[(4-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(4-methylbenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2CC([NH2+]C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[C@@H]2C[C@H]([NH2+]C2)C(=O)[O-]

InChI

InChI=1S/C13H17NO2/c1-9-2-4-10(5-3-9)6-11-7-12(13(15)16)14-8-11/h2-5,11-12,14H,6-8H2,1H3,(H,15,16)/t11-,12+/m1/s1