(3R,4R)-4-(hydroxymethyl)-3-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: (3R,4R)-4-(hydroxymethyl)-3-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: (3R,4R)-1-benzyl-4-(hydroxymethyl)-3-methyl-pyrrolidin-1-ium-3-carboxylate CAS Name: (3R,4R)-4-(hydroxymethyl)-3-methyl-1-(phenylmethyl)-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (3R,4R)-1-benzyl-4-(hydroxymethyl)-3-methylpyrrolidin-1-ium-3-carboxylate Traditional Name: (3R,4R)-1-benzyl-3-methyl-4-methylol-pyrrolidin-1-ium-3-carboxylate Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[NH+](CC1CO)CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@@]1(C[NH+](C[C@@H]1CO)CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H19NO3/c1-14(13(17)18)10-15(8-12(14)9-16)7-11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3,(H,17,18)/t12-,14+/m1/s1