1-(4-methoxyphenyl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]piperidine-4-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-(4-methoxyphenyl)sulfonyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]isonipecotamide Formula: C23H31N4O5S+ MolecularWeight: 475.58104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H30N4O5S/c1-31-20-3-5-21(6-4-20)33(29,30)27-10-8-19(9-11-27)23(28)25-17-18-2-7-22(24-16-18)26-12-14-32-15-13-26/h2-7,16,19H,8-15,17H2,1H3,(H,25,28)/p+1