1-(3-phenylsulfanylpropyl)piperazin-4-ium

Systemtic Name: 1-(3-phenylsulfanylpropyl)piperazin-4-ium Openeye Name: 1-(3-phenylsulfanylpropyl)piperazin-4-ium CAS Name: 1-[3-(phenylthio)propyl]piperazin-4-ium IUPAC Name: 1-(3-phenylsulfanylpropyl)piperazin-4-ium Traditional Name: 1-[3-(phenylthio)propyl]piperazin-4-ium Formula: C13H21N2S+ MolecularWeight: 237.38424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCCSC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH2+]1)CCCSC2=CC=CC=C2

InChI

InChI=1S/C13H20N2S/c1-2-5-13(6-3-1)16-12-4-9-15-10-7-14-8-11-15/h1-3,5-6,14H,4,7-12H2/p+1