1-[6-(4-methylsulfanylphenyl)pyridin-2-yl]piperazin-4-ium

Systemtic Name: 1-[6-(4-methylsulfanylphenyl)pyridin-2-yl]piperazin-4-ium Openeye Name: 1-[6-(4-methylsulfanylphenyl)-2-pyridyl]piperazin-4-ium CAS Name: 1-[6-[4-(methylthio)phenyl]-2-pyridinyl]piperazin-4-ium IUPAC Name: 1-[6-(4-methylsulfanylphenyl)pyridin-2-yl]piperazin-4-ium Traditional Name: 1-[6-[4-(methylthio)phenyl]-2-pyridyl]piperazin-4-ium Formula: C16H20N3S+ MolecularWeight: 286.4151

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC(=CC=C2)N3CC[NH2+]CC3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC(=CC=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C16H19N3S/c1-20-14-7-5-13(6-8-14)15-3-2-4-16(18-15)19-11-9-17-10-12-19/h2-8,17H,9-12H2,1H3/p+1