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

Systemtic Name: methyl (2S,4S,5S)-4-(hydroxymethyl)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5S)-4-(hydroxymethyl)-1,2-dimethyl-5-(p-tolyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5S)-4-(hydroxymethyl)-1,2-dimethyl-5-(4-methylphenyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5S)-4-(hydroxymethyl)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5S)-1,2-dimethyl-4-methylol-5-(p-tolyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-11-5-7-12(8-6-11)14-13(10-18)9-16(2,17(14)3)15(19)20-4/h5-8,13-14,18H,9-10H2,1-4H3/p+1/t13-,14-,16+/m1/s1