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

Systemtic Name: 12-methyl-2-propan-2-yloxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Openeye Name: 2-isopropoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride CAS Name: 12-methyl-2-propan-2-yloxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride IUPAC Name: 12-methyl-2-propan-2-yloxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Traditional Name: 2-isopropoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Formula: C22H20ClNO4 MolecularWeight: 397.8515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C2=C[N+](=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)C)O.[Cl-]

Isomeric SMILES

CC(C)OC1=C(C2=C[N+](=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)C)O.[Cl-]

InChI

InChI=1S/C22H19NO4.ClH/c1-12(2)27-18-7-6-14-15-5-4-13-8-19-20(26-11-25-19)9-16(13)21(15)23(3)10-17(14)22(18)24;/h4-10,12H,11H2,1-3H3;1H