[2-ethylhexylsulfanyl(phenylazanyl)methylidene]-phenyl-azanium iodide

Systemtic Name: [2-ethylhexylsulfanyl(phenylazanyl)methylidene]-phenyl-azanium iodide Openeye Name: [anilino(2-ethylhexylsulfanyl)methylene]-phenyl-ammonium iodide CAS Name: [anilino-(2-ethylhexylthio)methylidene]-phenylammonium iodide IUPAC Name: [anilino(2-ethylhexylsulfanyl)methylidene]-phenylazanium iodide Traditional Name: [anilino-(2-ethylhexylthio)methylene]-phenyl-ammonium iodide Formula: C21H29IN2S MolecularWeight: 468.43783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CSC(=[NH+]C1=CC=CC=C1)NC2=CC=CC=C2.[I-]

Isomeric SMILES

CCCCC(CC)CSC(=[NH+]C1=CC=CC=C1)NC2=CC=CC=C2.[I-]

InChI

InChI=1S/C21H28N2S.HI/c1-3-5-12-18(4-2)17-24-21(22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20;/h6-11,13-16,18H,3-5,12,17H2,1-2H3,(H,22,23);1H