2-[(3S)-3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[(3S)-3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[(3S)-3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]acetamide CAS Name: 2-[(3S)-3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-[(3S)-3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[(3S)-3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]acetamide Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCC[NH+](C3)CC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)[C@H]3CCC[NH+](C3)CC(=O)N

InChI

InChI=1S/C17H23N5OS/c1-21-16(14-8-5-9-22(10-14)11-15(18)23)19-20-17(21)24-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H2,18,23)/p+1/t14-/m0/s1