1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-[4-(phenylmethyl)morpholin-4-ium-4-yl]propan-2-ol

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-[4-(phenylmethyl)morpholin-4-ium-4-yl]propan-2-ol Openeye Name: 1-(4-benzylmorpholin-4-ium-4-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-[4-(phenylmethyl)-4-morpholin-4-iumyl]-2-propanol IUPAC Name: 1-(4-benzylmorpholin-4-ium-4-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol Traditional Name: 1-(4-benzylmorpholin-4-ium-4-yl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol Formula: C23H30NO5+ MolecularWeight: 400.488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CC2=CC=CC=C2)CC(COCC3COC4=CC=CC=C4O3)O

Isomeric SMILES

C1COCC[N+]1(CC2=CC=CC=C2)CC(COCC3COC4=CC=CC=C4O3)O

InChI

InChI=1S/C23H30NO5/c25-20(16-27-17-21-18-28-22-8-4-5-9-23(22)29-21)15-24(10-12-26-13-11-24)14-19-6-2-1-3-7-19/h1-9,20-21,25H,10-18H2/q+1