N-(3-methylsulfanylpropyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methylsulfanylpropyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide CAS Name: N-[3-(methylthio)propyl]-4-(4-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-methylsulfanylpropyl)-4-pyridin-1-ium-4-ylpiperazine-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide Formula: C14H23N4S2+ MolecularWeight: 311.48922

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CCN(CC1)C2=CC=[NH+]C=C2

Isomeric SMILES

CSCCCNC(=S)N1CCN(CC1)C2=CC=[NH+]C=C2

InChI

InChI=1S/C14H22N4S2/c1-20-12-2-5-16-14(19)18-10-8-17(9-11-18)13-3-6-15-7-4-13/h3-4,6-7H,2,5,8-12H2,1H3,(H,16,19)/p+1