N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-1-phenyl-cyclohexane-1-carboxamide

Systemtic Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-1-phenyl-cyclohexane-1-carboxamide Openeye Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-1-phenyl-cyclohexanecarboxamide CAS Name: N-[2-[4-methyl-5-[2-(4-morpholin-4-iumyl)ethylthio]-1,2,4-triazol-3-yl]ethyl]-1-phenyl-1-cyclohexanecarboxamide IUPAC Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-1-phenylcyclohexane-1-carboxamide Traditional Name: N-[2-[4-methyl-5-(2-morpholin-4-ium-4-ylethylthio)-1,2,4-triazol-3-yl]ethyl]-1-phenyl-cyclohexanecarboxamide Formula: C24H36N5O2S+ MolecularWeight: 458.63994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCOCC2)CCNC(=O)C3(CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCOCC2)CCNC(=O)C3(CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H35N5O2S/c1-28-21(26-27-23(28)32-19-16-29-14-17-31-18-15-29)10-13-25-22(30)24(11-6-3-7-12-24)20-8-4-2-5-9-20/h2,4-5,8-9H,3,6-7,10-19H2,1H3,(H,25,30)/p+1