N-methyl-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-methyl-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-methyl-4-(3-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-methyl-4-(3-pyridinylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-methyl-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-methyl-4-(3-pyridylmethyl)piperazin-4-ium-1-carbothioamide Formula: C12H19N4S+ MolecularWeight: 251.37106

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CC[NH+](CC1)CC2=CN=CC=C2

Isomeric SMILES

CNC(=S)N1CC[NH+](CC1)CC2=CN=CC=C2

InChI

InChI=1S/C12H18N4S/c1-13-12(17)16-7-5-15(6-8-16)10-11-3-2-4-14-9-11/h2-4,9H,5-8,10H2,1H3,(H,13,17)/p+1