[(7R,8R)-4-oxidanidyl-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-oxidanyl-2-phenyl-butanoate

Systemtic Name: [(7R,8R)-4-oxidanidyl-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-oxidanyl-2-phenyl-butanoate Openeye Name: [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-phenyl-butanoate CAS Name: 2-hydroxy-2-phenylbutanoic acid [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl ester IUPAC Name: [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-phenylbutanoate Traditional Name: 2-hydroxy-2-phenyl-butyric acid [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(=O)OCC2=CC[N+]3(C2C(CC3)O)[O-])O

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)O)[O-])O

InChI

InChI=1S/C18H23NO5/c1-2-18(22,14-6-4-3-5-7-14)17(21)24-12-13-8-10-19(23)11-9-15(20)16(13)19/h3-8,15-16,20,22H,2,9-12H2,1H3/t15-,16-,18?,19?/m1/s1