N-methyl-N-phenyl-2-[[4-(phenylmethyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-methyl-N-phenyl-2-[[4-(phenylmethyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-acetamide CAS Name: N-methyl-N-phenyl-2-[[4-(phenylmethyl)-5-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide Traditional Name: 2-[[4-benzyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenyl-acetamide Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C[NH+]4CCCC4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C[NH+]4CCCC4

InChI

InChI=1S/C23H27N5OS/c1-26(20-12-6-3-7-13-20)22(29)18-30-23-25-24-21(17-27-14-8-9-15-27)28(23)16-19-10-4-2-5-11-19/h2-7,10-13H,8-9,14-18H2,1H3/p+1