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

Systemtic Name: N-methyl-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-methyl-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-methyl-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-methyl-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-methyl-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C11H18N3S2+ MolecularWeight: 256.41072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3S2/c1-12-11(15)14-5-3-13(4-6-14)8-10-2-7-16-9-10/h2,7,9H,3-6,8H2,1H3,(H,12,15)/p+1