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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-ethoxycarbonylphenyl)-2-furyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-ethoxycarbonylphenyl)-2-furanyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium Traditional Name: [5-(4-carbethoxyphenyl)-2-furyl]methyl-piperonyl-ammonium Formula: C22H22NO5+ MolecularWeight: 380.41378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5/c1-2-25-22(24)17-6-4-16(5-7-17)19-10-8-18(28-19)13-23-12-15-3-9-20-21(11-15)27-14-26-20/h3-11,23H,2,12-14H2,1H3/p+1