2-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C20H28N7O2S+ MolecularWeight: 430.54702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)C4=CC=NC=C4

InChI

InChI=1S/C20H27N7O2S/c1-24-19(16-4-6-21-7-5-16)22-23-20(24)30-15-18(29)27-12-10-25(11-13-27)14-17(28)26-8-2-3-9-26/h4-7H,2-3,8-15H2,1H3/p+1