3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H30N4O4S/c1-18-5-2-3-10-27(18)32(29,30)21-7-4-6-20(15-21)23(28)25-17-19-8-9-22(24-16-19)26-11-13-31-14-12-26/h4,6-9,15-16,18H,2-3,5,10-14,17H2,1H3,(H,25,28)/p+1/t18-/m0/s1