2-[(2R)-2-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[(2R)-2-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: 2-[(2R)-2-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyrrolidin-1-ium-1-yl]acetamide CAS Name: 2-[(2R)-2-[4-methyl-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-[(2R)-2-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyrrolidin-1-ium-1-yl]acetamide Traditional Name: 2-[(2R)-2-[4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]pyrrolidin-1-ium-1-yl]acetamide Formula: C15H28N6OS+2 MolecularWeight: 340.48742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCCC2)C3CCC[NH+]3CC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCCC2)[C@H]3CCC[NH+]3CC(=O)N

InChI

InChI=1S/C15H26N6OS/c1-19-14(12-5-4-8-21(12)11-13(16)22)17-18-15(19)23-10-9-20-6-2-3-7-20/h12H,2-11H2,1H3,(H2,16,22)/p+2/t12-/m1/s1