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

Systemtic Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(10-oxidanylidenedecyl)piperidin-1-ium-1-yl]decanal Openeye Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(10-oxodecyl)piperidin-1-ium-1-yl]decanal CAS Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(10-oxodecyl)-1-piperidin-1-iumyl]decanal IUPAC Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(10-oxodecyl)piperidin-1-ium-1-yl]decanal Traditional Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(10-ketodecyl)piperidin-1-ium-1-yl]capraldehyde Formula: C34H56NO4+ MolecularWeight: 542.81274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H56NO4/c36-27-19-11-7-3-1-5-9-16-24-35(25-17-10-6-2-4-8-12-20-28-37)26-18-15-21-31(35)29-32-30-38-33-22-13-14-23-34(33)39-32/h13-14,22-23,27-28,31-32H,1-12,15-21,24-26,29-30H2/q+1