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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]isonipecotamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O4S/c27-22(24-17-18-6-7-21(23-16-18)25-12-14-30-15-13-25)19-8-10-26(11-9-19)31(28,29)20-4-2-1-3-5-20/h1-7,16,19H,8-15,17H2,(H,24,27)/p+1