N-methyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-methyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-methyl-4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-methyl-4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-methyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-methyl-4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C13H21N4S+ MolecularWeight: 265.39764

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CC[NH+](CC1)CCC2=CC=NC=C2

Isomeric SMILES

CNC(=S)N1CC[NH+](CC1)CCC2=CC=NC=C2

InChI

InChI=1S/C13H20N4S/c1-14-13(18)17-10-8-16(9-11-17)7-4-12-2-5-15-6-3-12/h2-3,5-6H,4,7-11H2,1H3,(H,14,18)/p+1