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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C[N+](=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)C)O.OS(=O)(=O)[O-]

Isomeric SMILES

CCOC1=C(C2=C[N+](=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)C)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C21H17NO4.H2O4S/c1-3-24-17-7-6-13-14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22(2)10-16(13)21(17)23;1-5(2,3)4/h4-10H,3,11H2,1-2H3;(H2,1,2,3,4)