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

Systemtic Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-(6-oxidanylidenehexyl)piperidin-1-ium-2-yl]decanal Openeye Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-(6-oxohexyl)piperidin-1-ium-2-yl]decanal CAS Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-(6-oxohexyl)-2-piperidin-1-iumyl]decanal IUPAC Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-(6-oxohexyl)piperidin-1-ium-2-yl]decanal Traditional Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(6-ketohexyl)-1-methyl-piperidin-1-ium-2-yl]capraldehyde Formula: C31H50NO4+ MolecularWeight: 500.733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H50NO4/c1-32(22-14-7-9-17-25-34)23-15-13-21-31(32,20-12-6-4-2-3-5-8-16-24-33)26-28-27-35-29-18-10-11-19-30(29)36-28/h10-11,18-19,24-25,28H,2-9,12-17,20-23,26-27H2,1H3/q+1