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

Systemtic Name: (4-oxidanidyl-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-oxidanyl-2-phenyl-propanoate Openeye Name: (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-phenyl-propanoate CAS Name: 2-hydroxy-2-phenylpropanoic acid (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl ester IUPAC Name: (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-phenylpropanoate Traditional Name: 2-hydroxy-2-phenyl-propionic acid (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-17(21,13-5-3-2-4-6-13)16(20)23-11-12-7-9-18(22)10-8-14(19)15(12)18/h2-7,14-15,19,21H,8-11H2,1H3