1-[3-(4-chlorophenyl)sulfanylpropyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[3-(4-chlorophenyl)sulfanylpropyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[3-(4-chlorophenyl)sulfanylpropyl]-4-methyl-piperazin-4-ium CAS Name: 1-[3-[(4-chlorophenyl)thio]propyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[3-(4-chlorophenyl)sulfanylpropyl]-4-methylpiperazin-4-ium Traditional Name: 1-[3-[(4-chlorophenyl)thio]propyl]-4-methyl-piperazin-4-ium Formula: C14H22ClN2S+ MolecularWeight: 285.85588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H21ClN2S/c1-16-8-10-17(11-9-16)7-2-12-18-14-5-3-13(15)4-6-14/h3-6H,2,7-12H2,1H3/p+1