2-[(4-butylsulfanylphenyl)-phenyl-methyl]sulfanylethyl-dimethyl-azanium chloride

Systemtic Name: 2-[(4-butylsulfanylphenyl)-phenyl-methyl]sulfanylethyl-dimethyl-azanium chloride Openeye Name: 2-[(4-butylsulfanylphenyl)-phenyl-methyl]sulfanylethyl-dimethyl-ammonium chloride CAS Name: 2-[[[4-(butylthio)phenyl]-phenylmethyl]thio]ethyl-dimethylammonium chloride IUPAC Name: 2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanylethyl-dimethylazanium chloride Traditional Name: 2-[[[4-(butylthio)phenyl]-phenyl-methyl]thio]ethyl-dimethyl-ammonium chloride Formula: C21H30ClNS2 MolecularWeight: 396.0526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C(C2=CC=CC=C2)SCC[NH+](C)C.[Cl-]

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C(C2=CC=CC=C2)SCC[NH+](C)C.[Cl-]

InChI

InChI=1S/C21H29NS2.ClH/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18;/h6-14,21H,4-5,15-17H2,1-3H3;1H