2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C23H34N5O2S+ MolecularWeight: 444.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC2(CCCCC2)[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC2(CCCCC2)[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H33N5O2S/c1-2-28-21(19-9-5-3-6-10-19)25-26-22(28)31-17-20(29)24-18-23(11-7-4-8-12-23)27-13-15-30-16-14-27/h3,5-6,9-10H,2,4,7-8,11-18H2,1H3,(H,24,29)/p+1