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

Systemtic Name: 2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C22H32N7OS+ MolecularWeight: 442.60078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H31N7OS/c1-17-7-10-28(11-8-17)21-24-25-22(29(21)18-5-6-18)31-16-20(30)27-14-12-26(13-15-27)19-4-2-3-9-23-19/h2-4,9,17-18H,5-8,10-16H2,1H3/p+1