2-[4-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[[4-methyl-3-(2-thienylmethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[[4-methyl-3-(2-thenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C20H31N6OS2+ MolecularWeight: 435.62974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CC[NH+](CC2)CC(=O)N3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CC[NH+](CC2)CC(=O)N3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C20H30N6OS2/c1-22-18(14-17-6-5-13-29-17)21-26(20(22)28)16-24-11-9-23(10-12-24)15-19(27)25-7-3-2-4-8-25/h5-6,13H,2-4,7-12,14-16H2,1H3/p+1