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

Systemtic Name: N-(3-methylbutyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-isopentyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-methylbutyl)-2-[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-isoamyl-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H32N5OS+ MolecularWeight: 402.57668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H31N5OS/c1-17(2)11-12-22-20(27)16-28-21-24-23-19(15-25-13-7-4-8-14-25)26(21)18-9-5-3-6-10-18/h3,5-6,9-10,17H,4,7-8,11-16H2,1-2H3,(H,22,27)/p+1