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

Systemtic Name: methyl (2S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-phenyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-phenyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-phenyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-phenylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S,5S)-2-methyl-4-methylol-5-phenyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C14H20NO3+ MolecularWeight: 250.3135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-14(13(17)18-2)8-11(9-16)12(15-14)10-6-4-3-5-7-10/h3-7,11-12,15-16H,8-9H2,1-2H3/p+1/t11-,12-,14+/m1/s1