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

Systemtic Name: N-prop-2-enyl-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-allyl-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-prop-2-enyl-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-prop-2-enyl-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-allyl-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C13H20N3S2+ MolecularWeight: 282.448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3S2/c1-2-4-14-13(17)16-7-5-15(6-8-16)10-12-3-9-18-11-12/h2-3,9,11H,1,4-8,10H2,(H,14,17)/p+1