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

Systemtic Name: N-ethyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-ethyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-ethyl-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-ethyl-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-ethyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C12H19N4S+ MolecularWeight: 251.37106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4S/c1-2-13-12(17)16-9-7-15(8-10-16)11-5-3-4-6-14-11/h3-6H,2,7-10H2,1H3,(H,13,17)/p+1