N-methyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-methyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-methyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-methyl-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-methyl-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-methyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C11H17N4S+ MolecularWeight: 237.34448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4S/c1-12-11(16)15-8-6-14(7-9-15)10-4-2-3-5-13-10/h2-5H,6-9H2,1H3,(H,12,16)/p+1