16-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-piperidin-1-ium-1-yl]hexadecanal

Systemtic Name: 16-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-piperidin-1-ium-1-yl]hexadecanal Openeye Name: 16-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-piperidin-1-ium-1-yl]hexadecanal CAS Name: 16-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-piperidin-1-iumyl]hexadecanal IUPAC Name: 16-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpiperidin-1-ium-1-yl]hexadecanal Traditional Name: 16-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-piperidin-1-ium-1-yl]palmitaldehyde Formula: C31H52NO3+ MolecularWeight: 486.74948

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1CC2COC3=CC=CC=C3O2)CCCCCCCCCCCCCCCC=O

Isomeric SMILES

C[N+]1(CCCCC1CC2COC3=CC=CC=C3O2)CCCCCCCCCCCCCCCC=O

InChI

InChI=1S/C31H52NO3/c1-32(23-17-12-10-8-6-4-2-3-5-7-9-11-13-19-25-33)24-18-16-20-28(32)26-29-27-34-30-21-14-15-22-31(30)35-29/h14-15,21-22,25,28-29H,2-13,16-20,23-24,26-27H2,1H3/q+1