1,3-benzodioxol-5-yl-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(coumaran-5-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C22H24NO4+ MolecularWeight: 366.43026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23NO4/c24-22(17-4-6-20-21(11-17)27-14-26-20)18-2-1-8-23(13-18)12-15-3-5-19-16(10-15)7-9-25-19/h3-6,10-11,18H,1-2,7-9,12-14H2/p+1/t18-/m0/s1