[8-(2-ethoxy-2-oxidanylidene-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate

Systemtic Name: [8-(2-ethoxy-2-oxidanylidene-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate Openeye Name: [8-(2-ethoxy-2-oxo-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate CAS Name: 2-phenyl-1-cyclohex-2-enecarboxylic 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] 2-phenylcyclohex-2-ene-1-carboxylate Traditional Name: 2-phenylcyclohex-2-ene-1-carboxylic acid [8-(2-ethoxy-2-keto-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C25H34NO4+ MolecularWeight: 412.54176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(C2CCC1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C[N+]1(C2CCC1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)C

InChI

InChI=1S/C25H34NO4/c1-3-29-24(27)17-26(2)19-13-14-20(26)16-21(15-19)30-25(28)23-12-8-7-11-22(23)18-9-5-4-6-10-18/h4-6,9-11,19-21,23H,3,7-8,12-17H2,1-2H3/q+1