[(2R,3S,4S)-4-oxidanyl-2-(phenylmethyl)pyrrolidin-1-ium-3-yl] ethanoate

Systemtic Name: [(2R,3S,4S)-4-oxidanyl-2-(phenylmethyl)pyrrolidin-1-ium-3-yl] ethanoate Openeye Name: [(2R,3S,4S)-2-benzyl-4-hydroxy-pyrrolidin-1-ium-3-yl] acetate CAS Name: acetic acid [(2R,3S,4S)-4-hydroxy-2-(phenylmethyl)-3-pyrrolidin-1-iumyl] ester IUPAC Name: [(2R,3S,4S)-2-benzyl-4-hydroxypyrrolidin-1-ium-3-yl] acetate Traditional Name: acetic acid [(2R,3S,4S)-2-benzyl-4-hydroxy-pyrrolidin-1-ium-3-yl] ester Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C[NH2+]C1CC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](C[NH2+][C@@H]1CC2=CC=CC=C2)O

InChI

InChI=1S/C13H17NO3/c1-9(15)17-13-11(14-8-12(13)16)7-10-5-3-2-4-6-10/h2-6,11-14,16H,7-8H2,1H3/p+1/t11-,12+,13+/m1/s1