1-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[4-(methylthio)benzyl]piperazin-4-ium Formula: C12H19N2S+ MolecularWeight: 223.35766

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CC[NH2+]CC2

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CC[NH2+]CC2

InChI

InChI=1S/C12H18N2S/c1-15-12-4-2-11(3-5-12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3/p+1