1-(1,3-benzodioxol-5-ylmethyl)-6,7-diethoxy-isoquinoline hydrochloride

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-diethoxy-isoquinoline hydrochloride Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-diethoxy-isoquinoline hydrochloride CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-diethoxyisoquinoline hydrochloride IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-diethoxyisoquinoline hydrochloride Traditional Name: 6,7-diethoxy-1-piperonyl-isoquinoline hydrochloride Formula: C21H22ClNO4 MolecularWeight: 387.85668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C=CN=C2CC3=CC4=C(C=C3)OCO4)OCC.Cl

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C=CN=C2CC3=CC4=C(C=C3)OCO4)OCC.Cl

InChI

InChI=1S/C21H21NO4.ClH/c1-3-23-20-11-15-7-8-22-17(16(15)12-21(20)24-4-2)9-14-5-6-18-19(10-14)26-13-25-18;/h5-8,10-12H,3-4,9,13H2,1-2H3;1H