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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ium-1-yl-propan-1-one Formula: C16H22NO3+ MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H21NO3/c18-14(6-9-17-7-2-1-3-8-17)13-4-5-15-16(12-13)20-11-10-19-15/h4-5,12H,1-3,6-11H2/p+1