1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)butan-1-one

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)butan-1-one Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)butan-1-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-1-piperidin-1-iumyl)-1-butanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)butan-1-one Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)butan-1-one Formula: C18H26NO3+ MolecularWeight: 304.40394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3(CCCCC3)C

Isomeric SMILES

CCC(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3(CCCCC3)C

InChI

InChI=1S/C18H26NO3/c1-3-15(19(2)9-5-4-6-10-19)18(20)14-7-8-16-17(13-14)22-12-11-21-16/h7-8,13,15H,3-6,9-12H2,1-2H3/q+1