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

Systemtic Name: 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Openeye Name: 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride CAS Name: 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride IUPAC Name: 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Traditional Name: 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC)O.[Cl-]

Isomeric SMILES

C[N+]1=CC2=C(C(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC)O.[Cl-]

InChI

InChI=1S/C21H17NO5.ClH/c1-22-9-15-14(8-18(24-2)21(25-3)20(15)23)12-5-4-11-6-16-17(27-10-26-16)7-13(11)19(12)22;/h4-9H,10H2,1-3H3;1H