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

Systemtic Name: [(2R,3S,4S)-4-oxidanyl-2-(phenylmethyl)pyrrolidin-1-ium-3-yl] benzoate Openeye Name: [(2R,3S,4S)-2-benzyl-4-hydroxy-pyrrolidin-1-ium-3-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [(2R,3S,4S)-2-benzyl-4-hydroxy-pyrrolidin-1-ium-3-yl] ester Formula: C18H20NO3+ MolecularWeight: 298.3563

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C([NH2+]1)CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1[C@@H]([C@H]([C@H]([NH2+]1)CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C18H19NO3/c20-16-12-19-15(11-13-7-3-1-4-8-13)17(16)22-18(21)14-9-5-2-6-10-14/h1-10,15-17,19-20H,11-12H2/p+1/t15-,16+,17+/m1/s1