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

Systemtic Name: 12-ethyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol; hydrogen sulfate Openeye Name: 12-ethyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol; hydrogen sulfate CAS Name: 12-ethyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol; hydrogen sulfate IUPAC Name: 12-ethyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol; hydrogen sulfate Traditional Name: 12-ethyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol bisulfate Formula: C20H17NO7S MolecularWeight: 415.41648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15NO3.H2O4S/c1-2-21-10-16-13(4-3-5-17(16)22)14-7-6-12-8-18-19(24-11-23-18)9-15(12)20(14)21;1-5(2,3)4/h3-10H,2,11H2,1H3;(H2,1,2,3,4)