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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-piperidin-1-iumyl)-1-propanone chloride IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ium-1-ylpropan-1-one chloride Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3.ClH/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;1H