3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Openeye Name: 3-(4-morpholinosulfonylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Traditional Name: 3-(4-morpholinosulfonylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propionamide Formula: C25H40N3O4S+ MolecularWeight: 478.6678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[NH+]4CCCCC4

InChI

InChI=1S/C25H39N3O4S/c29-24(26-21-25(13-3-1-4-14-25)27-15-5-2-6-16-27)12-9-22-7-10-23(11-8-22)33(30,31)28-17-19-32-20-18-28/h7-8,10-11H,1-6,9,12-21H2,(H,26,29)/p+1