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

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)amino]-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione Openeye Name: 2-(3-chloro-4-methoxy-anilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione CAS Name: 2-(3-chloro-4-methoxyanilino)-3-(3,5-dimethyl-1-pyridin-1-iumyl)naphthalene-1,4-dione IUPAC Name: 2-(3-chloro-4-methoxyanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione Traditional Name: 2-(3-chloro-4-methoxy-anilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1,4-naphthoquinone Formula: C24H20ClN2O3+ MolecularWeight: 419.8802

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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(=C(C=C4)OC)Cl)C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC(=C(C=C4)OC)Cl)C

InChI

InChI=1S/C24H19ClN2O3/c1-14-10-15(2)13-27(12-14)22-21(26-16-8-9-20(30-3)19(25)11-16)23(28)17-6-4-5-7-18(17)24(22)29/h4-13H,1-3H3/p+1