N-(3-methylsulfanylpropyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methylsulfanylpropyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-[3-(methylthio)propyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-methylsulfanylpropyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-pyridin-1-ium-2-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=CC=[NH+]2

Isomeric SMILES

CSCCCNC(=S)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C14H22N4S2/c1-20-12-4-7-16-14(19)18-10-8-17(9-11-18)13-5-2-3-6-15-13/h2-3,5-6H,4,7-12H2,1H3,(H,16,19)/p+1