N-(1,3-benzodioxol-5-yl)-1-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(5-morpholinosulfonylpyridin-1-ium-2-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(5-morpholinosulfonylpyridin-1-ium-2-yl)isonipecotamide Formula: C22H27N4O6S+ MolecularWeight: 475.53798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=[NH+]C=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=[NH+]C=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C22H26N4O6S/c27-22(24-17-1-3-19-20(13-17)32-15-31-19)16-5-7-25(8-6-16)21-4-2-18(14-23-21)33(28,29)26-9-11-30-12-10-26/h1-4,13-14,16H,5-12,15H2,(H,24,27)/p+1