[(1S,8R)-7-(hydroxymethyl)-4-oxidanidyl-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] 2-oxidanyl-2-phenyl-butanoate

Systemtic Name: [(1S,8R)-7-(hydroxymethyl)-4-oxidanidyl-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] 2-oxidanyl-2-phenyl-butanoate Openeye Name: [(1S,8R)-7-(hydroxymethyl)-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] 2-hydroxy-2-phenyl-butanoate CAS Name: 2-hydroxy-2-phenylbutanoic acid [(1S,8R)-7-(hydroxymethyl)-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] ester IUPAC Name: [(1S,8R)-7-(hydroxymethyl)-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] 2-hydroxy-2-phenylbutanoate Traditional Name: 2-hydroxy-2-phenyl-butyric acid [(1S,8R)-7-methylol-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(=O)OC2CC[N+]3(C2C(=CC3)CO)[O-])O

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(=O)O[C@H]2CC[N+]3([C@@H]2C(=CC3)CO)[O-])O

InChI

InChI=1S/C18H23NO5/c1-2-18(22,14-6-4-3-5-7-14)17(21)24-15-9-11-19(23)10-8-13(12-20)16(15)19/h3-8,15-16,20,22H,2,9-12H2,1H3/t15-,16+,18?,19?/m0/s1