N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2-[4-[[1-oxo-2-(phenylthio)ethyl]amino]-1-pyrazolyl]acetamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide Traditional Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[4-[[2-(phenylthio)acetyl]amino]pyrazol-1-yl]acetamide Formula: C24H34N5O3S+ MolecularWeight: 472.62346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C24H33N5O3S/c30-22(25-19-24(9-5-2-6-10-24)28-11-13-32-14-12-28)17-29-16-20(15-26-29)27-23(31)18-33-21-7-3-1-4-8-21/h1,3-4,7-8,15-16H,2,5-6,9-14,17-19H2,(H,25,30)(H,27,31)/p+1