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

Systemtic Name: 1-[3-(4-chlorophenyl)sulfanylpropyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[3-(4-chlorophenyl)sulfanylpropyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[3-[(4-chlorophenyl)thio]propyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[3-(4-chlorophenyl)sulfanylpropyl]-4-ethylpiperazin-4-ium Traditional Name: 1-[3-[(4-chlorophenyl)thio]propyl]-4-ethyl-piperazin-4-ium Formula: C15H24ClN2S+ MolecularWeight: 299.88246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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