4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C24H33N4O4S+ MolecularWeight: 473.60822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)C

InChI

InChI=1S/C24H32N4O4S/c1-18-13-19(2)17-28(16-18)33(30,31)22-6-4-21(5-7-22)24(29)26-15-20-3-8-23(25-14-20)27-9-11-32-12-10-27/h3-8,14,18-19H,9-13,15-17H2,1-2H3,(H,26,29)/p+1/t18-,19-/m0/s1