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

Systemtic Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-(10-oxidanylidenedecyl)piperidin-1-ium-2-yl]decanal Openeye Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-(10-oxodecyl)piperidin-1-ium-2-yl]decanal CAS Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-(10-oxodecyl)-2-piperidin-1-iumyl]decanal IUPAC Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-(10-oxodecyl)piperidin-1-ium-2-yl]decanal Traditional Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(10-ketodecyl)-1-methyl-piperidin-1-ium-2-yl]capraldehyde Formula: C35H58NO4+ MolecularWeight: 556.83932

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1(CCCCCCCCCC=O)CC2COC3=CC=CC=C3O2)CCCCCCCCCC=O

Isomeric SMILES

C[N+]1(CCCCC1(CCCCCCCCCC=O)CC2COC3=CC=CC=C3O2)CCCCCCCCCC=O

InChI

InChI=1S/C35H58NO4/c1-36(26-18-11-7-3-5-9-13-21-29-38)27-19-17-25-35(36,24-16-10-6-2-4-8-12-20-28-37)30-32-31-39-33-22-14-15-23-34(33)40-32/h14-15,22-23,28-29,32H,2-13,16-21,24-27,30-31H2,1H3/q+1