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

Systemtic Name: 2-[(4-methylphenyl)amino]-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide Openeye Name: 2-(4-methylanilino)-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide CAS Name: 2-(4-methylanilino)-3-(1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(4-methylanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione iodide Traditional Name: 2-(p-toluidino)-3-pyridin-1-ium-1-yl-1,4-naphthoquinone iodide Formula: C22H17IN2O2 MolecularWeight: 468.28705

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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=CC=C4.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O2.HI/c1-15-9-11-16(12-10-15)23-19-20(24-13-5-2-6-14-24)22(26)18-8-4-3-7-17(18)21(19)25;/h2-14H,1H3;1H