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

Systemtic Name: (1S)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H20NO4+ MolecularWeight: 314.3557

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C18H19NO4/c1-20-15-7-11-5-6-19-18(13(11)9-16(15)21-2)12-3-4-14-17(8-12)23-10-22-14/h3-4,7-9,18-19H,5-6,10H2,1-2H3/p+1/t18-/m0/s1