2-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[4-phenyl-5-[(1S)-1-(1-piperidin-1-iumyl)ethyl]-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-phenyl-5-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C20H30N5OS+ MolecularWeight: 388.5501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5OS/c1-3-12-21-18(26)15-27-20-23-22-19(16(2)24-13-8-5-9-14-24)25(20)17-10-6-4-7-11-17/h4,6-7,10-11,16H,3,5,8-9,12-15H2,1-2H3,(H,21,26)/p+1/t16-/m0/s1