2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C23H29N6O2S+ MolecularWeight: 453.58036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CO5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CO5

InChI

InChI=1S/C23H28N6O2S/c30-21(28-14-12-27(13-15-28)20-10-4-5-11-24-20)17-32-23-26-25-22(19-9-6-16-31-19)29(23)18-7-2-1-3-8-18/h4-6,9-11,16,18H,1-3,7-8,12-15,17H2/p+1