3-[(5-chloranyl-2-phenylsulfanyl-phenyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5-chloranyl-2-phenylsulfanyl-phenyl)amino]propyl-dimethyl-azanium Openeye Name: 3-(5-chloro-2-phenylsulfanyl-anilino)propyl-dimethyl-ammonium CAS Name: 3-[5-chloro-2-(phenylthio)anilino]propyl-dimethylammonium IUPAC Name: 3-(5-chloro-2-phenylsulfanylanilino)propyl-dimethylazanium Traditional Name: 3-[5-chloro-2-(phenylthio)anilino]propyl-dimethyl-ammonium Formula: C17H22ClN2S+ MolecularWeight: 321.88798

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C(C=CC(=C1)Cl)SC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCCNC1=C(C=CC(=C1)Cl)SC2=CC=CC=C2

InChI

InChI=1S/C17H21ClN2S/c1-20(2)12-6-11-19-16-13-14(18)9-10-17(16)21-15-7-4-3-5-8-15/h3-5,7-10,13,19H,6,11-12H2,1-2H3/p+1