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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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