propan-2-yl (2R,3S)-2-(4-methylphenyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: propan-2-yl (2R,3S)-2-(4-methylphenyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: isopropyl (2R,3S)-2-(p-tolyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (2R,3S)-2-(4-methylphenyl)-3-pyrrolidin-1-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (2R,3S)-2-(4-methylphenyl)pyrrolidin-1-ium-3-carboxylate Traditional Name: (2R,3S)-2-(p-tolyl)pyrrolidin-1-ium-3-carboxylic acid isopropyl ester Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(CC[NH2+]2)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2/c1-10(2)18-15(17)13-8-9-16-14(13)12-6-4-11(3)5-7-12/h4-7,10,13-14,16H,8-9H2,1-3H3/p+1/t13-,14-/m0/s1