2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethanone Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H27N5O2S/c1-23-19(16-7-8-16)21-22-20(23)28-15-18(26)25-11-9-24(10-12-25)13-14-27-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3/p+1