2-[(2,6-dimethylphenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione perchlorate

Systemtic Name: 2-[(2,6-dimethylphenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione perchlorate Openeye Name: 2-(2,6-dimethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione perchlorate CAS Name: 2-(2,6-dimethylanilino)-3-(4-methyl-1-pyridin-1-iumyl)naphthalene-1,4-dione perchlorate IUPAC Name: 2-(2,6-dimethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione perchlorate Traditional Name: 2-(2,6-dimethylanilino)-3-(4-methylpyridin-1-ium-1-yl)-1,4-naphthoquinone perchlorate Formula: C24H21ClN2O6 MolecularWeight: 468.88634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=C(C=CC=C4C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=C(C=CC=C4C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C24H20N2O2.ClHO4/c1-15-11-13-26(14-12-15)22-21(25-20-16(2)7-6-8-17(20)3)23(27)18-9-4-5-10-19(18)24(22)28;2-1(3,4)5/h4-14H,1-3H3;(H,2,3,4,5)