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

Systemtic Name: N-propyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-propyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-propyl-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-propyl-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-propyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C13H21N4S+ MolecularWeight: 265.39764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4S/c1-2-6-15-13(18)17-10-8-16(9-11-17)12-5-3-4-7-14-12/h3-5,7H,2,6,8-11H2,1H3,(H,15,18)/p+1