5-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Traditional Name: 4-methoxy-6,6-dimethyl-5-piperonyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-6-ium Formula: C21H24NO5+ MolecularWeight: 370.41896

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC3=C(C(=C2C1CC4=CC5=C(C=C4)OCO5)OC)OCO3)C

Isomeric SMILES

C[N+]1(CCC2=CC3=C(C(=C2C1CC4=CC5=C(C=C4)OCO5)OC)OCO3)C

InChI

InChI=1S/C21H24NO5/c1-22(2)7-6-14-10-18-20(27-12-26-18)21(23-3)19(14)15(22)8-13-4-5-16-17(9-13)25-11-24-16/h4-5,9-10,15H,6-8,11-12H2,1-3H3/q+1