1-(1,3-benzodioxol-5-yl)-4-(dimethylamino)butan-1-one hydrochloride

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-4-(dimethylamino)butan-1-one hydrochloride Openeye Name: 1-(1,3-benzodioxol-5-yl)-4-(dimethylamino)butan-1-one hydrochloride CAS Name: 1-(1,3-benzodioxol-5-yl)-4-(dimethylamino)-1-butanone hydrochloride IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-(dimethylamino)butan-1-one hydrochloride Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-(dimethylamino)butan-1-one hydrochloride Formula: C13H18ClNO3 MolecularWeight: 271.73992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(=O)C1=CC2=C(C=C1)OCO2.Cl

Isomeric SMILES

CN(C)CCCC(=O)C1=CC2=C(C=C1)OCO2.Cl

InChI

InChI=1S/C13H17NO3.ClH/c1-14(2)7-3-4-11(15)10-5-6-12-13(8-10)17-9-16-12;/h5-6,8H,3-4,7,9H2,1-2H3;1H