N-propan-2-yl-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-propan-2-yl-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-isopropyl-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-propan-2-yl-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-propan-2-yl-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-isopropyl-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C13H22N3S2+ MolecularWeight: 284.46388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3S2/c1-11(2)14-13(17)16-6-4-15(5-7-16)9-12-3-8-18-10-12/h3,8,10-11H,4-7,9H2,1-2H3,(H,14,17)/p+1