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

Systemtic Name: spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl 3-oxidanyl-2-phenyl-propanoate Openeye Name: spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl 3-hydroxy-2-phenyl-propanoate CAS Name: 3-hydroxy-2-phenylpropanoic acid 3-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]yl ester IUPAC Name: spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl 3-hydroxy-2-phenylpropanoate Traditional Name: 3-hydroxy-2-phenyl-propionic acid spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl ester Formula: C20H28NO3+ MolecularWeight: 330.44122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4

Isomeric SMILES

C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4

InChI

InChI=1S/C20H28NO3/c22-14-19(15-6-2-1-3-7-15)20(23)24-18-12-16-8-9-17(13-18)21(16)10-4-5-11-21/h1-3,6-7,16-19,22H,4-5,8-14H2/q+1