N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]pent-4-enamide

Systemtic Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]pent-4-enamide Openeye Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]pent-4-enamide CAS Name: N-[2-[4-methyl-5-[2-(4-morpholin-4-iumyl)ethylthio]-1,2,4-triazol-3-yl]ethyl]-4-pentenamide IUPAC Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]pent-4-enamide Traditional Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylthio)-1,2,4-triazol-3-yl]ethyl]pent-4-enamide Formula: C16H28N5O2S+ MolecularWeight: 354.49082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCOCC2)CCNC(=O)CCC=C

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCOCC2)CCNC(=O)CCC=C

InChI

InChI=1S/C16H27N5O2S/c1-3-4-5-15(22)17-7-6-14-18-19-16(20(14)2)24-13-10-21-8-11-23-12-9-21/h3H,1,4-13H2,2H3,(H,17,22)/p+1