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

Systemtic Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-piperidin-1-ium-1-yl]decanal Openeye Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-piperidin-1-ium-1-yl]decanal CAS Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-1-piperidin-1-iumyl]decanal IUPAC Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylpiperidin-1-ium-1-yl]decanal Traditional Name: 10-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-piperidin-1-ium-1-yl]capraldehyde Formula: C25H40NO3+ MolecularWeight: 402.59

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40NO3/c1-26(17-11-6-4-2-3-5-7-13-19-27)18-12-10-14-22(26)20-23-21-28-24-15-8-9-16-25(24)29-23/h8-9,15-16,19,22-23H,2-7,10-14,17-18,20-21H2,1H3/q+1