methyl (2S,4S,5S)-4-cyano-1,2-dimethyl-5-(2-methylphenyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S,5S)-4-cyano-1,2-dimethyl-5-(2-methylphenyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5S)-4-cyano-1,2-dimethyl-5-(o-tolyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5S)-4-cyano-1,2-dimethyl-5-(2-methylphenyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5S)-4-cyano-1,2-dimethyl-5-(2-methylphenyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5S)-4-cyano-1,2-dimethyl-5-(o-tolyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(CC([NH+]2C)(C)C(=O)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2/c1-11-7-5-6-8-13(11)14-12(10-17)9-16(2,18(14)3)15(19)20-4/h5-8,12,14H,9H2,1-4H3/p+1/t12-,14+,16+/m1/s1