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

Systemtic Name: 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-[(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=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4S/c1-18-4-2-3-11-27(18)32(29,30)21-8-6-20(7-9-21)23(28)25-17-19-5-10-22(24-16-19)26-12-14-31-15-13-26/h5-10,16,18H,2-4,11-15,17H2,1H3,(H,25,28)/p+1/t18-/m0/s1