1,3-benzodioxol-5-yl-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23NO5/c24-22(16-4-6-19-21(11-16)28-14-27-19)17-2-1-7-23(13-17)12-15-3-5-18-20(10-15)26-9-8-25-18/h3-6,10-11,17H,1-2,7-9,12-14H2/p+1/t17-/m0/s1