[10-(2,2-diphenylcyclohexyl)oxy-8-oxidanyl-9-oxa-8-azoniaspiro[5.5]undec-7-en-11-yl] ethanoate

Systemtic Name: [10-(2,2-diphenylcyclohexyl)oxy-8-oxidanyl-9-oxa-8-azoniaspiro[5.5]undec-7-en-11-yl] ethanoate Openeye Name: [10-(2,2-diphenylcyclohexoxy)-8-hydroxy-9-oxa-8-azoniaspiro[5.5]undec-7-en-11-yl] acetate CAS Name: acetic acid [10-(2,2-diphenylcyclohexyl)oxy-8-hydroxy-9-oxa-8-azoniaspiro[5.5]undec-7-en-11-yl] ester IUPAC Name: [10-(2,2-diphenylcyclohexyl)oxy-8-hydroxy-9-oxa-8-azoniaspiro[5.5]undec-7-en-11-yl] acetate Traditional Name: acetic acid [10-(2,2-diphenylcyclohexoxy)-8-hydroxy-9-oxa-8-azoniaspiro[5.5]undec-7-en-11-yl] ester Formula: C29H36NO5+ MolecularWeight: 478.59984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(O[N+](=CC12CCCCC2)O)OC3CCCCC3(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)OC1C(O[N+](=CC12CCCCC2)O)OC3CCCCC3(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H36NO5/c1-22(31)33-26-27(35-30(32)21-28(26)18-10-4-11-19-28)34-25-17-9-12-20-29(25,23-13-5-2-6-14-23)24-15-7-3-8-16-24/h2-3,5-8,13-16,21,25-27,32H,4,9-12,17-20H2,1H3/q+1