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

Systemtic Name: 1-(6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium-2-yl)anthracene-9,10-dione Openeye Name: 1-(6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium-2-yl)anthracene-9,10-dione CAS Name: 1-(6,8-dimethoxy-1,3-dimethyl-2-isoquinolin-2-iumyl)anthracene-9,10-dione IUPAC Name: 1-(6,8-dimethoxy-1,3-dimethylisoquinolin-2-ium-2-yl)anthracene-9,10-dione Traditional Name: 1-(6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium-2-yl)-9,10-anthraquinone Formula: C27H22NO4+ MolecularWeight: 424.46788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22NO4/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/h5-14H,1-4H3/q+1