N-[[(3R)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[(3R)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[(3R)-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3R)-1-[(5-methyl-2-furanyl)methyl]-3-piperidin-1-iumyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[(3R)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[(3R)-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-3-yl]methyl]-piperonylamide Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCCC(C2)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N2O4/c1-14-4-6-17(26-14)12-22-8-2-3-15(11-22)10-21-20(23)16-5-7-18-19(9-16)25-13-24-18/h4-7,9,15H,2-3,8,10-13H2,1H3,(H,21,23)/p+1/t15-/m1/s1