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

Systemtic Name: 2-[(2R)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-ium-1-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[(2R)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[(2R)-2-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-pyrrolidin-1-iumyl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[(2R)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[(2R)-2-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]pyrrolidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2CCC[NH+]2CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SC)[C@H]2CCC[NH+]2CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c1-26-21(24-25-22(26)30-2)19-9-6-14-27(19)15-20(28)23-16-10-12-18(13-11-16)29-17-7-4-3-5-8-17/h3-5,7-8,10-13,19H,6,9,14-15H2,1-2H3,(H,23,28)/p+1/t19-/m1/s1