N-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-piperidin-1-iumyl]methyl]-2-furancarboxamide IUPAC Name: N-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]methyl]-2-furamide Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCCO3)CNC(=O)C4=CC=CO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCCO3)CNC(=O)C4=CC=CO4

InChI

InChI=1S/C20H24N2O4/c23-20(18-4-2-8-24-18)21-12-16-3-1-7-22(14-16)13-15-5-6-17-19(11-15)26-10-9-25-17/h2,4-6,8,11,16H,1,3,7,9-10,12-14H2,(H,21,23)/p+1/t16-/m1/s1