5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Traditional Name: 6-methyl-5-piperonyl-[1,3]dioxol[4,5-g]isoquinolin-6-ium Formula: C19H16NO4+ MolecularWeight: 322.33464

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC3=C(C=C2C=C1)OCO3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[N+]1=C(C2=CC3=C(C=C2C=C1)OCO3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H16NO4/c1-20-5-4-13-8-18-19(24-11-23-18)9-14(13)15(20)6-12-2-3-16-17(7-12)22-10-21-16/h2-5,7-9H,6,10-11H2,1H3/q+1