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

Systemtic Name: 2-[(4-methylphenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione perchlorate Openeye Name: 2-(4-methylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione perchlorate CAS Name: 2-(4-methylanilino)-3-(4-methyl-1-pyridin-1-iumyl)naphthalene-1,4-dione perchlorate IUPAC Name: 2-(4-methylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione perchlorate Traditional Name: 2-(4-methylpyridin-1-ium-1-yl)-3-(p-toluidino)-1,4-naphthoquinone perchlorate Formula: C23H19ClN2O6 MolecularWeight: 454.85976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=C(C=C4)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=C(C=C4)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C23H18N2O2.ClHO4/c1-15-7-9-17(10-8-15)24-20-21(25-13-11-16(2)12-14-25)23(27)19-6-4-3-5-18(19)22(20)26;2-1(3,4)5/h3-14H,1-2H3;(H,2,3,4,5)