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

Systemtic Name: 1-methoxy-12-methyl-2-phenylmethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride Openeye Name: 2-benzyloxy-1-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride CAS Name: 1-methoxy-12-methyl-2-phenylmethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride IUPAC Name: 1-methoxy-12-methyl-2-phenylmethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride Traditional Name: 2-benzoxy-1-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride Formula: C27H22ClNO4 MolecularWeight: 459.92088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22NO4.ClH/c1-28-14-22-19(10-11-23(27(22)29-2)30-15-17-6-4-3-5-7-17)20-9-8-18-12-24-25(32-16-31-24)13-21(18)26(20)28;/h3-14H,15-16H2,1-2H3;1H/q+1;/p-1