3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide

Systemtic Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Openeye Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Traditional Name: 3-[(2S,6S)-2,6-dimethylmorpholino]sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Formula: C25H40N3O4S+ MolecularWeight: 478.6678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C25H39N3O4S/c1-20-17-28(18-21(2)32-20)33(30,31)23-11-9-10-22(16-23)24(29)26-19-25(12-5-3-6-13-25)27-14-7-4-8-15-27/h9-11,16,20-21H,3-8,12-15,17-19H2,1-2H3,(H,26,29)/p+1/t20-,21-/m0/s1