[4-cyclohexyl-6-(2,2-diphenylcyclopentyl)oxy-2-oxidanyl-5,6-dihydro-4H-1,2-oxazin-2-ium-5-yl] ethanoate

Systemtic Name: [4-cyclohexyl-6-(2,2-diphenylcyclopentyl)oxy-2-oxidanyl-5,6-dihydro-4H-1,2-oxazin-2-ium-5-yl] ethanoate Openeye Name: [4-cyclohexyl-6-(2,2-diphenylcyclopentoxy)-2-hydroxy-5,6-dihydro-4H-oxazin-2-ium-5-yl] acetate CAS Name: acetic acid [4-cyclohexyl-6-(2,2-diphenylcyclopentyl)oxy-2-hydroxy-5,6-dihydro-4H-oxazin-2-ium-5-yl] ester IUPAC Name: [4-cyclohexyl-6-(2,2-diphenylcyclopentyl)oxy-2-hydroxy-5,6-dihydro-4H-oxazin-2-ium-5-yl] acetate Traditional Name: acetic acid [4-cyclohexyl-6-(2,2-diphenylcyclopentoxy)-2-hydroxy-5,6-dihydro-4H-oxazin-2-ium-5-yl] ester Formula: C29H36NO5+ MolecularWeight: 478.59984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C=[N+](OC1OC2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)O)C5CCCCC5

Isomeric SMILES

CC(=O)OC1C(C=[N+](OC1OC2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)O)C5CCCCC5

InChI

InChI=1S/C29H36NO5/c1-21(31)33-27-25(22-12-5-2-6-13-22)20-30(32)35-28(27)34-26-18-11-19-29(26,23-14-7-3-8-15-23)24-16-9-4-10-17-24/h3-4,7-10,14-17,20,22,25-28,32H,2,5-6,11-13,18-19H2,1H3/q+1