[8-(2-ethoxy-2-oxidanylidene-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate

Systemtic Name: [8-(2-ethoxy-2-oxidanylidene-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate Openeye Name: [8-(2-ethoxy-2-oxo-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate CAS Name: 3-hydroxy-2-phenylpropanoic acid [8-(2-ethoxy-2-oxoethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-(2-ethoxy-2-oxoethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate Traditional Name: 3-hydroxy-2-phenyl-propionic acid [8-(2-ethoxy-2-keto-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C21H30NO5+ MolecularWeight: 376.4666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C

InChI

InChI=1S/C21H30NO5/c1-3-26-20(24)13-22(2)16-9-10-17(22)12-18(11-16)27-21(25)19(14-23)15-7-5-4-6-8-15/h4-8,16-19,23H,3,9-14H2,1-2H3/q+1