1-[4-(4-chlorophenyl)sulfanylbutyl]-4-methyl-piperazin-1-ium

Systemtic Name: 1-[4-(4-chlorophenyl)sulfanylbutyl]-4-methyl-piperazin-1-ium Openeye Name: 1-[4-(4-chlorophenyl)sulfanylbutyl]-4-methyl-piperazin-1-ium CAS Name: 1-[4-[(4-chlorophenyl)thio]butyl]-4-methylpiperazin-1-ium IUPAC Name: 1-[4-(4-chlorophenyl)sulfanylbutyl]-4-methylpiperazin-1-ium Traditional Name: 1-[4-[(4-chlorophenyl)thio]butyl]-4-methyl-piperazin-1-ium Formula: C15H24ClN2S+ MolecularWeight: 299.88246

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CCCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1CC[NH+](CC1)CCCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H23ClN2S/c1-17-9-11-18(12-10-17)8-2-3-13-19-15-6-4-14(16)5-7-15/h4-7H,2-3,8-13H2,1H3/p+1