1-(2-phenylsulfanylethyl)piperazin-4-ium

Systemtic Name: 1-(2-phenylsulfanylethyl)piperazin-4-ium Openeye Name: 1-(2-phenylsulfanylethyl)piperazin-4-ium CAS Name: 1-[2-(phenylthio)ethyl]piperazin-4-ium IUPAC Name: 1-(2-phenylsulfanylethyl)piperazin-4-ium Traditional Name: 1-[2-(phenylthio)ethyl]piperazin-4-ium Formula: C12H19N2S+ MolecularWeight: 223.35766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCSC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH2+]1)CCSC2=CC=CC=C2

InChI

InChI=1S/C12H18N2S/c1-2-4-12(5-3-1)15-11-10-14-8-6-13-7-9-14/h1-5,13H,6-11H2/p+1