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

Systemtic Name: 2-[(4-butylphenyl)amino]-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Openeye Name: 2-(4-butylanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide CAS Name: 2-(4-butylanilino)-3-(3,5-dimethyl-1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(4-butylanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Traditional Name: 2-(4-butylanilino)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1,4-naphthoquinone iodide Formula: C27H27IN2O2 MolecularWeight: 538.41995

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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(=CC(=C4)C)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O2.HI/c1-4-5-8-20-11-13-21(14-12-20)28-24-25(29-16-18(2)15-19(3)17-29)27(31)23-10-7-6-9-22(23)26(24)30;/h6-7,9-17H,4-5,8H2,1-3H3;1H