2-[[4-(4-chlorophenyl)-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-(4-morpholin-4-iumylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C23H25ClN5O4S+ MolecularWeight: 502.9937

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1COCC[NH+]1CC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H24ClN5O4S/c24-16-1-4-18(5-2-16)29-21(14-28-7-9-31-10-8-28)26-27-23(29)34-15-22(30)25-17-3-6-19-20(13-17)33-12-11-32-19/h1-6,13H,7-12,14-15H2,(H,25,30)/p+1