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

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C26H39N6O2S+ MolecularWeight: 499.69186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4)[NH+]5CCOCC5

InChI

InChI=1S/C26H38N6O2S/c33-23(27-21-26(12-6-2-7-13-26)31-16-18-34-19-17-31)20-35-25-29-28-24(30-14-8-3-9-15-30)32(25)22-10-4-1-5-11-22/h1,4-5,10-11H,2-3,6-9,12-21H2,(H,27,33)/p+1