spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]-3-yl 3-oxidanyl-2-phenyl-propanoate chloride

Systemtic Name: spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]-3-yl 3-oxidanyl-2-phenyl-propanoate chloride Openeye Name: spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]-3-yl 3-hydroxy-2-phenyl-propanoate chloride CAS Name: 3-hydroxy-2-phenylpropanoic acid 3-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]yl ester chloride IUPAC Name: spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]-3-yl 3-hydroxy-2-phenylpropanoate chloride Traditional Name: 3-hydroxy-2-phenyl-propionic acid spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]-3-yl ester chloride Formula: C21H30ClNO3 MolecularWeight: 379.9208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(CC1)C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CC[N+]2(CC1)C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H30NO3.ClH/c23-15-20(16-7-3-1-4-8-16)21(24)25-19-13-17-9-10-18(14-19)22(17)11-5-2-6-12-22;/h1,3-4,7-8,17-20,23H,2,5-6,9-15H2;1H/q+1;/p-1