[5-azanyl-4-[2-(4-chlorophenyl)sulfanylphenyl]-5-oxidanylidene-pentyl]-dimethyl-azanium chloride

Systemtic Name: [5-azanyl-4-[2-(4-chlorophenyl)sulfanylphenyl]-5-oxidanylidene-pentyl]-dimethyl-azanium chloride Openeye Name: [5-amino-4-[2-(4-chlorophenyl)sulfanylphenyl]-5-oxo-pentyl]-dimethyl-ammonium chloride CAS Name: [5-amino-4-[2-[(4-chlorophenyl)thio]phenyl]-5-oxopentyl]-dimethylammonium chloride IUPAC Name: [5-amino-4-[2-(4-chlorophenyl)sulfanylphenyl]-5-oxopentyl]-dimethylazanium chloride Traditional Name: [5-amino-4-[2-[(4-chlorophenyl)thio]phenyl]-5-keto-pentyl]-dimethyl-ammonium chloride Formula: C19H24Cl2N2OS MolecularWeight: 399.37766

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC(C1=CC=CC=C1SC2=CC=C(C=C2)Cl)C(=O)N.[Cl-]

Isomeric SMILES

C[NH+](C)CCCC(C1=CC=CC=C1SC2=CC=C(C=C2)Cl)C(=O)N.[Cl-]

InChI

InChI=1S/C19H23ClN2OS.ClH/c1-22(2)13-5-7-17(19(21)23)16-6-3-4-8-18(16)24-15-11-9-14(20)10-12-15;/h3-4,6,8-12,17H,5,7,13H2,1-2H3,(H2,21,23);1H