N-(1,3-benzodioxol-5-yl)-1-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]piperidin-1-ium-4-carboxamide Formula: C23H29N4O6S+ MolecularWeight: 489.56456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)C[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)C[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H28N4O6S/c28-22-6-4-19(34(30,31)27-9-1-2-10-27)14-26(22)15-25-11-7-17(8-12-25)23(29)24-18-3-5-20-21(13-18)33-16-32-20/h3-6,13-14,17H,1-2,7-12,15-16H2,(H,24,29)/p+1