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

Systemtic Name: 2-[(2R)-2-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrrolidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[(2R)-2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[(2R)-2-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-pyrrolidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[(2R)-2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[(2R)-2-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]pyrrolidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCC[NH+]3CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)[C@H]3CCC[NH+]3CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-26-21(24-25-22(26)29-16-17-9-4-2-5-10-17)19-13-8-14-27(19)15-20(28)23-18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3,(H,23,28)/p+1/t19-/m1/s1