2-[4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C18H33N6OS+ MolecularWeight: 381.55922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN2CC[NH+](CC2)CC(=O)N3CCCCC3

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN2CC[NH+](CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C18H32N6OS/c1-18(2,3)16-19-17(26)24(20-16)14-22-11-9-21(10-12-22)13-15(25)23-7-5-4-6-8-23/h4-14H2,1-3H3,(H,19,20,26)/p+1