1-(1,3-benzodioxol-5-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(1-piperidin-1-iumyl)-1-propanone chloride IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-piperidin-1-ium-1-ylpropan-1-one chloride Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Formula: C15H20ClNO3 MolecularWeight: 297.7772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)C2=CC3=C(C=C2)OCO3.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)C2=CC3=C(C=C2)OCO3.[Cl-]

InChI

InChI=1S/C15H19NO3.ClH/c17-13(6-9-16-7-2-1-3-8-16)12-4-5-14-15(10-12)19-11-18-14;/h4-5,10H,1-3,6-9,11H2;1H