methyl (2S,4S)-4-acetamido-1-[(3-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-acetamido-1-[(3-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-acetamido-1-(m-tolylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-acetamido-1-[(3-methylphenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-acetamido-1-[(3-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-acetamido-1-(3-methylbenzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-11-5-4-6-13(7-11)9-18-10-14(17-12(2)19)8-15(18)16(20)21-3/h4-7,14-15H,8-10H2,1-3H3,(H,17,19)/p+1/t14-,15-/m0/s1