N-(2-methylprop-2-enyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-methylprop-2-enyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-methylallyl)-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methylprop-2-enyl)-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-methylprop-2-enyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-methylallyl)-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C14H22N3S2+ MolecularWeight: 296.47458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3S2/c1-12(2)9-15-14(18)17-6-4-16(5-7-17)10-13-3-8-19-11-13/h3,8,11H,1,4-7,9-10H2,2H3,(H,15,18)/p+1