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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)isonipecotamide Formula: C22H27N4O5S+ MolecularWeight: 459.53858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H26N4O5S/c27-22(24-17-3-5-19-20(13-17)31-15-30-19)16-7-11-25(12-8-16)21-6-4-18(14-23-21)32(28,29)26-9-1-2-10-26/h3-6,13-14,16H,1-2,7-12,15H2,(H,24,27)/p+1