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

Systemtic Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C22H31N5O2S/c1-18-24-25-21(27(18)19-8-4-2-5-9-19)30-16-20(28)23-17-22(10-6-3-7-11-22)26-12-14-29-15-13-26/h2,4-5,8-9H,3,6-7,10-17H2,1H3,(H,23,28)/p+1