2-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C18H31N6O2S+ MolecularWeight: 395.54274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)C)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)C)C3CC3

InChI

InChI=1S/C18H30N6O2S/c1-4-24-17(14-5-6-14)20-21-18(24)27-12-16(26)23-9-7-22(8-10-23)11-15(25)19-13(2)3/h13-14H,4-12H2,1-3H3,(H,19,25)/p+1