2-(4-ethylpiperazin-4-ium-1-yl)pyridine-4-carbothioamide

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)pyridine-4-carbothioamide Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)pyridine-4-carbothioamide CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-4-pyridinecarbothioamide IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)pyridine-4-carbothioamide Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)thioisonicotinamide Formula: C12H19N4S+ MolecularWeight: 251.37106

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=CC(=C2)C(=S)N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=CC(=C2)C(=S)N

InChI

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