1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propan-1-one; hydron; chloride

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propan-1-one; hydron; chloride Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propan-1-one; hydron; chloride CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)-1-propanone; hydron; chloride IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propan-1-one; hydron; chloride Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propan-1-one; hydron; chloride Formula: C12H16ClNO3 MolecularWeight: 257.71334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[H+].CN(C)CCC(=O)C1=CC2=C(C=C1)OCO2.[Cl-]

Isomeric SMILES

[H+].CN(C)CCC(=O)C1=CC2=C(C=C1)OCO2.[Cl-]

InChI

InChI=1S/C12H15NO3.ClH/c1-13(2)6-5-10(14)9-3-4-11-12(7-9)16-8-15-11;/h3-4,7H,5-6,8H2,1-2H3;1H