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

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

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

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

InChI

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