1,3-benzodioxol-5-ylmethyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-methoxycarbonylphenyl)-2-furyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-methoxycarbonylphenyl)-2-furanyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium Traditional Name: [5-(4-carbomethoxyphenyl)-2-furyl]methyl-piperonyl-ammonium Formula: C21H20NO5+ MolecularWeight: 366.3872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19NO5/c1-24-21(23)16-5-3-15(4-6-16)18-9-7-17(27-18)12-22-11-14-2-8-19-20(10-14)26-13-25-19/h2-10,22H,11-13H2,1H3/p+1