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

Systemtic Name: 1-(2-propylsulfanylphenyl)piperazin-4-ium Openeye Name: 1-(2-propylsulfanylphenyl)piperazin-4-ium CAS Name: 1-[2-(propylthio)phenyl]piperazin-4-ium IUPAC Name: 1-(2-propylsulfanylphenyl)piperazin-4-ium Traditional Name: 1-[2-(propylthio)phenyl]piperazin-4-ium Formula: C13H21N2S+ MolecularWeight: 237.38424

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1N2CC[NH2+]CC2

Isomeric SMILES

CCCSC1=CC=CC=C1N2CC[NH2+]CC2

InChI

InChI=1S/C13H20N2S/c1-2-11-16-13-6-4-3-5-12(13)15-9-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3/p+1