1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; hydrogen sulfate

Systemtic Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; hydrogen sulfate Openeye Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; hydrogen sulfate CAS Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; hydrogen sulfate IUPAC Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium; hydrogen sulfate Traditional Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium bisulfate Formula: C21H19NO8S MolecularWeight: 445.44246

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.OS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.OS(=O)(=O)[O-]

InChI

InChI=1S/C21H18NO4.H2O4S/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;1-5(2,3)4/h4-10H,11H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1