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

Systemtic Name: methyl (2S,4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-2-methyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-2-methyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-2-methyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5S)-5-(4-chlorophenyl)-4-(hydroxymethyl)-2-methylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5S)-5-(4-chlorophenyl)-2-methyl-4-methylol-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C14H19ClNO3+ MolecularWeight: 284.75856

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C([NH2+]1)C2=CC=C(C=C2)Cl)CO)C(=O)OC

Isomeric SMILES

C[C@]1(C[C@@H]([C@H]([NH2+]1)C2=CC=C(C=C2)Cl)CO)C(=O)OC

InChI

InChI=1S/C14H18ClNO3/c1-14(13(18)19-2)7-10(8-17)12(16-14)9-3-5-11(15)6-4-9/h3-6,10,12,16-17H,7-8H2,1-2H3/p+1/t10-,12-,14+/m1/s1