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

Systemtic Name: [8-(2-methoxy-2-oxidanylidene-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate Openeye Name: [8-(2-methoxy-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-methoxy-2-oxoethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-(2-methoxy-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-keto-2-methoxy-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C24H32NO4+ MolecularWeight: 398.51518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32NO4/c1-25(16-23(26)28-2)18-12-13-19(25)15-20(14-18)29-24(27)22-11-7-6-10-21(22)17-8-4-3-5-9-17/h3-5,8-10,18-20,22H,6-7,11-16H2,1-2H3/q+1