(1S)-1-(1,3-benzodioxol-5-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-1-(1,3-benzodioxol-5-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-1-(1,3-benzodioxol-5-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-1-(1,3-benzodioxol-5-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-1-(1,3-benzodioxol-5-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-1-(1,3-benzodioxol-5-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H24NO4+ MolecularWeight: 342.40886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC4=C(C=C3)OCO4)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC4=C(C=C3)OCO4)OCC

InChI

InChI=1S/C20H23NO4/c1-3-22-18-9-13-7-8-21-20(15(13)11-19(18)23-4-2)14-5-6-16-17(10-14)25-12-24-16/h5-6,9-11,20-21H,3-4,7-8,12H2,1-2H3/p+1/t20-/m0/s1