2-[(2-chlorophenyl)amino]-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione

Systemtic Name: 2-[(2-chlorophenyl)amino]-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione Openeye Name: 2-(2-chloroanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione CAS Name: 2-(2-chloroanilino)-3-(3,5-dimethyl-1-pyridin-1-iumyl)naphthalene-1,4-dione IUPAC Name: 2-(2-chloroanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione Traditional Name: 2-(2-chloroanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1,4-naphthoquinone Formula: C23H18ClN2O2+ MolecularWeight: 389.85422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN2O2/c1-14-11-15(2)13-26(12-14)21-20(25-19-10-6-5-9-18(19)24)22(27)16-7-3-4-8-17(16)23(21)28/h3-13H,1-2H3/p+1