1-(2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-6-yl)propan-2-one

Systemtic Name: 1-(2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-6-yl)propan-2-one Openeye Name: 1-(2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-6-yl)propan-2-one CAS Name: 1-(2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-6-yl)-2-propanone IUPAC Name: 1-(2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-6-yl)propan-2-one Traditional Name: 1-(2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-6-yl)acetone Formula: C24H22NO5+ MolecularWeight: 404.43518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C2C=C3C(=CC2=C4C(=C1)C5=CC(=C(C=C5C=[N+]4C)OC)OC)OCO3

Isomeric SMILES

CC(=O)CC1=C2C=C3C(=CC2=C4C(=C1)C5=CC(=C(C=C5C=[N+]4C)OC)OC)OCO3

InChI

InChI=1S/C24H22NO5/c1-13(26)5-14-6-18-17-8-21(28-4)20(27-3)7-15(17)11-25(2)24(18)19-10-23-22(9-16(14)19)29-12-30-23/h6-11H,5,12H2,1-4H3/q+1