1-(6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium-2-yl)anthracene-9,10-dione tetrafluoroborate

Systemtic Name: 1-(6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium-2-yl)anthracene-9,10-dione tetrafluoroborate Openeye Name: 1-(6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium-2-yl)anthracene-9,10-dione tetrafluoroborate CAS Name: 1-(6,8-dimethoxy-1,3-dimethyl-2-isoquinolin-2-iumyl)anthracene-9,10-dione tetrafluoroborate IUPAC Name: 1-(6,8-dimethoxy-1,3-dimethylisoquinolin-2-ium-2-yl)anthracene-9,10-dione tetrafluoroborate Traditional Name: 1-(6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium-2-yl)-9,10-anthraquinone tetrafluoroborate Formula: C27H22BF4NO4 MolecularWeight: 511.272493

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC2=CC(=CC(=C2C(=[N+]1C3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O)C)OC)OC

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC2=CC(=CC(=C2C(=[N+]1C3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O)C)OC)OC

InChI

InChI=1S/C27H22NO4.BF4/c1-15-12-17-13-18(31-3)14-23(32-4)24(17)16(2)28(15)22-11-7-10-21-25(22)27(30)20-9-6-5-8-19(20)26(21)29;2-1(3,4)5/h5-14H,1-4H3;/q+1;-1