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

Systemtic Name: 16-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-1-ium-1-yl]hexadecanal Openeye Name: 16-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-1-ium-1-yl]hexadecanal CAS Name: 16-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-piperidin-1-iumyl]hexadecanal IUPAC Name: 16-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-1-ium-1-yl]hexadecanal Traditional Name: 16-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-1-ium-1-yl]palmitaldehyde Formula: C30H50NO3+ MolecularWeight: 472.7229

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCCCCCCCCCCCCCCC=O)CC2COC3=CC=CC=C3O2

Isomeric SMILES

C1CC[N+](CC1)(CCCCCCCCCCCCCCCC=O)CC2COC3=CC=CC=C3O2

InChI

InChI=1S/C30H50NO3/c32-25-19-12-10-8-6-4-2-1-3-5-7-9-11-16-22-31(23-17-13-18-24-31)26-28-27-33-29-20-14-15-21-30(29)34-28/h14-15,20-21,25,28H,1-13,16-19,22-24,26-27H2/q+1