[5-(1,3-benzodioxol-5-ylcarbonyloxy)-3-ethoxycarbonyl-2-phenyl-1-benzofuran-4-yl]methyl-dimethyl-azanium

Systemtic Name: [5-(1,3-benzodioxol-5-ylcarbonyloxy)-3-ethoxycarbonyl-2-phenyl-1-benzofuran-4-yl]methyl-dimethyl-azanium Openeye Name: [5-(1,3-benzodioxole-5-carbonyloxy)-3-ethoxycarbonyl-2-phenyl-benzofuran-4-yl]methyl-dimethyl-ammonium CAS Name: [5-[1,3-benzodioxol-5-yl(oxo)methoxy]-3-ethoxycarbonyl-2-phenyl-4-benzofuranyl]methyl-dimethylammonium IUPAC Name: [5-(1,3-benzodioxole-5-carbonyloxy)-3-ethoxycarbonyl-2-phenyl-1-benzofuran-4-yl]methyl-dimethylazanium Traditional Name: (3-carbethoxy-2-phenyl-5-piperonyloyloxy-benzofuran-4-yl)methyl-dimethyl-ammonium Formula: C28H26NO7+ MolecularWeight: 488.50854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)C[NH+](C)C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)C[NH+](C)C)C5=CC=CC=C5

InChI

InChI=1S/C28H25NO7/c1-4-32-28(31)25-24-19(15-29(2)3)20(12-13-22(24)35-26(25)17-8-6-5-7-9-17)36-27(30)18-10-11-21-23(14-18)34-16-33-21/h5-14H,4,15-16H2,1-3H3/p+1