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

Systemtic Name: 2-[(2-chlorophenyl)amino]-3-(3-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione perchlorate Openeye Name: 2-(2-chloroanilino)-3-(3-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione perchlorate CAS Name: 2-(2-chloroanilino)-3-(3-methyl-1-pyridin-1-iumyl)naphthalene-1,4-dione perchlorate IUPAC Name: 2-(2-chloroanilino)-3-(3-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione perchlorate Traditional Name: 2-(2-chloroanilino)-3-(3-methylpyridin-1-ium-1-yl)-1,4-naphthoquinone perchlorate Formula: C22H16Cl2N2O6 MolecularWeight: 475.27824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4Cl.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4Cl.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H15ClN2O2.ClHO4/c1-14-7-6-12-25(13-14)20-19(24-18-11-5-4-10-17(18)23)21(26)15-8-2-3-9-16(15)22(20)27;2-1(3,4)5/h2-13H,1H3;(H,2,3,4,5)