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

Systemtic Name: 1-ethyl-4-[3-(4-methylphenyl)sulfanylpropyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[3-(p-tolylsulfanyl)propyl]piperazin-1-ium CAS Name: 1-ethyl-4-[3-[(4-methylphenyl)thio]propyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[3-(4-methylphenyl)sulfanylpropyl]piperazin-1-ium Traditional Name: 1-ethyl-4-[3-(p-tolylthio)propyl]piperazin-1-ium Formula: C16H27N2S+ MolecularWeight: 279.46398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2S/c1-3-17-10-12-18(13-11-17)9-4-14-19-16-7-5-15(2)6-8-16/h5-8H,3-4,9-14H2,1-2H3/p+1