10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(6-oxidanylidenehexyl)piperidin-1-ium-1-yl]decanal

Systemtic Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(6-oxidanylidenehexyl)piperidin-1-ium-1-yl]decanal Openeye Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(6-oxohexyl)piperidin-1-ium-1-yl]decanal CAS Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(6-oxohexyl)-1-piperidin-1-iumyl]decanal IUPAC Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(6-oxohexyl)piperidin-1-ium-1-yl]decanal Traditional Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(6-ketohexyl)piperidin-1-ium-1-yl]capraldehyde Formula: C30H48NO4+ MolecularWeight: 486.70642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)CC2COC3=CC=CC=C3O2)(CCCCCCCCCC=O)CCCCCC=O

Isomeric SMILES

C1CC[N+](C(C1)CC2COC3=CC=CC=C3O2)(CCCCCCCCCC=O)CCCCCC=O

InChI

InChI=1S/C30H48NO4/c32-23-15-7-4-2-1-3-5-12-20-31(21-13-6-8-16-24-33)22-14-11-17-27(31)25-28-26-34-29-18-9-10-19-30(29)35-28/h9-10,18-19,23-24,27-28H,1-8,11-17,20-22,25-26H2/q+1