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

Systemtic Name: N-(diphenylmethyl)-2-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-benzhydryl-2-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(diphenylmethyl)-2-[(2S)-2-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-benzhydryl-2-[(2S)-2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-benzhydryl-2-[(2S)-2-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]pyrrolidin-1-ium-1-yl]acetamide Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5OS/c1-27-22(25-26-23(27)30-2)19-14-9-15-28(19)16-20(29)24-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,21H,9,14-16H2,1-2H3,(H,24,29)/p+1/t19-/m0/s1