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

Systemtic Name: hydrogen sulfate; 2-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol Openeye Name: hydrogen sulfate; 2-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol CAS Name: hydrogen sulfate; 2-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol IUPAC Name: hydrogen sulfate; 2-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol Traditional Name: 2-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol bisulfate Formula: C20H17NO8S MolecularWeight: 431.41588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15NO4.H2O4S/c1-21-9-15-12(5-6-16(23-2)20(15)22)13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21;1-5(2,3)4/h3-9H,10H2,1-2H3;(H2,1,2,3,4)