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

Systemtic Name: 12-ethyl-2-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Openeye Name: 12-ethyl-2-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride CAS Name: 12-ethyl-2-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride IUPAC Name: 12-ethyl-2-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Traditional Name: 12-ethyl-2-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO4.ClH/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;/h4-10H,3,11H2,1-2H3;1H