1-(3,4-dimethoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Openeye Name: 1-(3,4-dimethoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride CAS Name: 1-(3,4-dimethoxyphenyl)-3-(1-piperidin-1-iumyl)-1-propanone chloride IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride Traditional Name: 1-(3,4-dimethoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Formula: C16H24ClNO3 MolecularWeight: 313.81966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CC[NH+]2CCCCC2)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CC[NH+]2CCCCC2)OC.[Cl-]

InChI

InChI=1S/C16H23NO3.ClH/c1-19-15-7-6-13(12-16(15)20-2)14(18)8-11-17-9-4-3-5-10-17;/h6-7,12H,3-5,8-11H2,1-2H3;1H