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

Systemtic Name: 2-[(4-butylphenyl)amino]-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide Openeye Name: 2-(4-butylanilino)-3-pyridin-1-ium-1-yl-naphthalene-1,4-dione iodide CAS Name: 2-(4-butylanilino)-3-(1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(4-butylanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione iodide Traditional Name: 2-(4-butylanilino)-3-pyridin-1-ium-1-yl-1,4-naphthoquinone iodide Formula: C25H23IN2O2 MolecularWeight: 510.36679

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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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O2.HI/c1-2-3-9-18-12-14-19(15-13-18)26-22-23(27-16-7-4-8-17-27)25(29)21-11-6-5-10-20(21)24(22)28;/h4-8,10-17H,2-3,9H2,1H3;1H