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

Systemtic Name: 2-[(4-butylphenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Openeye Name: 2-(4-butylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide CAS Name: 2-(4-butylanilino)-3-(4-methyl-1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(4-butylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Traditional Name: 2-(4-butylanilino)-3-(4-methylpyridin-1-ium-1-yl)-1,4-naphthoquinone iodide Formula: C26H25IN2O2 MolecularWeight: 524.39337

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=C(C=C4)C.[I-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=C(C=C4)C.[I-]

InChI

InChI=1S/C26H24N2O2.HI/c1-3-4-7-19-10-12-20(13-11-19)27-23-24(28-16-14-18(2)15-17-28)26(30)22-9-6-5-8-21(22)25(23)29;/h5-6,8-17H,3-4,7H2,1-2H3;1H