1,3-benzodioxol-5-yl-[(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[5-(methoxymethyl)-2-furanyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-3-yl]methanone Formula: C20H24NO5+ MolecularWeight: 358.40826

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(O1)C[NH+]2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23NO5/c1-23-12-17-6-5-16(26-17)11-21-8-2-3-15(10-21)20(22)14-4-7-18-19(9-14)25-13-24-18/h4-7,9,15H,2-3,8,10-13H2,1H3/p+1/t15-/m0/s1