2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(3S)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(3S)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C15H26N5OS+ MolecularWeight: 324.46484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2CCC[NH+](C2)CC(=O)N3CCCC3

Isomeric SMILES

CN1C(=NN=C1SC)[C@H]2CCC[NH+](C2)CC(=O)N3CCCC3

InChI

InChI=1S/C15H25N5OS/c1-18-14(16-17-15(18)22-2)12-6-5-7-19(10-12)11-13(21)20-8-3-4-9-20/h12H,3-11H2,1-2H3/p+1/t12-/m0/s1