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

Systemtic Name: 1-(1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-6-yl)propan-2-one Openeye Name: 1-(1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-6-yl)propan-2-one CAS Name: 1-(1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-6-yl)-2-propanone IUPAC Name: 1-(1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-6-yl)propan-2-one Traditional Name: 1-(1,2-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=C(C=[N+]4C)C(=C(C=C5)OC)OC)OCO3

Isomeric SMILES

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

InChI

InChI=1S/C24H22NO5/c1-13(26)7-14-8-17-15-5-6-20(27-3)24(28-4)19(15)11-25(2)23(17)18-10-22-21(9-16(14)18)29-12-30-22/h5-6,8-11H,7,12H2,1-4H3/q+1