(2R)-2-[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1-methyl-piperidin-1-ium

Systemtic Name: (2R)-2-[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1-methyl-piperidin-1-ium Openeye Name: (2R)-2-[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1-methyl-piperidin-1-ium CAS Name: (2R)-2-[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethyl]-1-methylpiperidin-1-ium IUPAC Name: (2R)-2-[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1-methylpiperidin-1-ium Traditional Name: (2R)-2-[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethyl]-1-methyl-piperidin-1-ium Formula: C22H26ClN4S+ MolecularWeight: 413.98664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCCC[C@@H]1CCSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H25ClN4S/c1-26-15-6-5-9-19(26)14-16-28-22-25-24-21(17-7-3-2-4-8-17)27(22)20-12-10-18(23)11-13-20/h2-4,7-8,10-13,19H,5-6,9,14-16H2,1H3/p+1/t19-/m1/s1