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

Systemtic Name: 12-methyl-2-phenylmethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Openeye Name: 2-benzyloxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride CAS Name: 12-methyl-2-phenylmethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride IUPAC Name: 12-methyl-2-phenylmethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Traditional Name: 2-benzoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol chloride Formula: C26H20ClNO4 MolecularWeight: 445.8943

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=C3C=CC(=C(C3=C1)O)OCC4=CC=CC=C4)C=CC5=CC6=C(C=C52)OCO6.[Cl-]

Isomeric SMILES

C[N+]1=C2C(=C3C=CC(=C(C3=C1)O)OCC4=CC=CC=C4)C=CC5=CC6=C(C=C52)OCO6.[Cl-]

InChI

InChI=1S/C26H19NO4.ClH/c1-27-13-21-18(9-10-22(26(21)28)29-14-16-5-3-2-4-6-16)19-8-7-17-11-23-24(31-15-30-23)12-20(17)25(19)27;/h2-13H,14-15H2,1H3;1H