[4-(1,3-benzodioxol-5-yl)-6-(2,2-diphenylcyclopentyl)oxy-4-ethyl-2-oxidanylidene-1,2-oxazinan-2-ium-5-yl] ethanoate

Systemtic Name: [4-(1,3-benzodioxol-5-yl)-6-(2,2-diphenylcyclopentyl)oxy-4-ethyl-2-oxidanylidene-1,2-oxazinan-2-ium-5-yl] ethanoate Openeye Name: [4-(1,3-benzodioxol-5-yl)-6-(2,2-diphenylcyclopentoxy)-4-ethyl-2-oxo-oxazinan-2-ium-5-yl] acetate CAS Name: acetic acid [4-(1,3-benzodioxol-5-yl)-6-(2,2-diphenylcyclopentyl)oxy-4-ethyl-2-oxo-5-oxazinan-2-iumyl] ester IUPAC Name: [4-(1,3-benzodioxol-5-yl)-6-(2,2-diphenylcyclopentyl)oxy-4-ethyl-2-oxooxazinan-2-ium-5-yl] acetate Traditional Name: acetic acid [4-(1,3-benzodioxol-5-yl)-6-(2,2-diphenylcyclopentoxy)-4-ethyl-2-keto-oxazinan-2-ium-5-yl] ester Formula: C32H34NO7+ MolecularWeight: 544.61486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C[N+](=O)OC(C1OC(=O)C)OC2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC1(C[N+](=O)OC(C1OC(=O)C)OC2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C32H34NO7/c1-3-31(25-16-17-26-27(19-25)37-21-36-26)20-33(35)40-30(29(31)38-22(2)34)39-28-15-10-18-32(28,23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-9,11-14,16-17,19,28-30H,3,10,15,18,20-21H2,1-2H3/q+1