1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]propan-1-one Openeye Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 3-(1-benzyl-1-methylpiperidin-1-ium-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one Traditional Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one Formula: C24H30NO3+ MolecularWeight: 380.4999

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)CCC(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC(CC1)CCC(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30NO3/c1-25(18-20-5-3-2-4-6-20)13-11-19(12-14-25)7-9-22(26)21-8-10-23-24(17-21)28-16-15-27-23/h2-6,8,10,17,19H,7,9,11-16,18H2,1H3/q+1