N-pentan-3-yl-2-[[4-(phenylmethyl)-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-pentan-3-yl-2-[[4-(phenylmethyl)-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: N-pentan-3-yl-2-[[4-(phenylmethyl)-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: 2-[[4-benzyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C22H34N5OS+ MolecularWeight: 416.60326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C[NH+]3CCCCC3

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H33N5OS/c1-3-19(4-2)23-21(28)17-29-22-25-24-20(16-26-13-9-6-10-14-26)27(22)15-18-11-7-5-8-12-18/h5,7-8,11-12,19H,3-4,6,9-10,13-17H2,1-2H3,(H,23,28)/p+1