2-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]amino]-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione

Systemtic Name: 2-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]amino]-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione Openeye Name: 2-(3,5-dichloro-2-hydroxy-anilino)-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione CAS Name: 2-(3,5-dichloro-2-hydroxyanilino)-3-(1-pyridin-1-iumyl)naphthalene-1,4-dione IUPAC Name: 2-(3,5-dichloro-2-hydroxyanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione Traditional Name: 2-(3,5-dichloro-2-hydroxy-anilino)-3-pyridin-1-ium-1-yl-1,4-naphthoquinone Formula: C21H13Cl2N2O3+ MolecularWeight: 412.24552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC(=CC(=C4O)Cl)Cl

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC(=CC(=C4O)Cl)Cl

InChI

InChI=1S/C21H12Cl2N2O3/c22-12-10-15(23)21(28)16(11-12)24-17-18(25-8-4-1-5-9-25)20(27)14-7-3-2-6-13(14)19(17)26/h1-11H,(H-,24,26,27,28)/p+1