[5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxy-3-ethoxycarbonyl-2-phenyl-1-benzofuran-4-yl]methyl-dimethyl-azanium

Systemtic Name: [5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxy-3-ethoxycarbonyl-2-phenyl-1-benzofuran-4-yl]methyl-dimethyl-azanium Openeye Name: [5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxy-3-ethoxycarbonyl-2-phenyl-benzofuran-4-yl]methyl-dimethyl-ammonium CAS Name: [5-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]-3-ethoxycarbonyl-2-phenyl-4-benzofuranyl]methyl-dimethylammonium IUPAC Name: [5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxy-3-ethoxycarbonyl-2-phenyl-1-benzofuran-4-yl]methyl-dimethylazanium Traditional Name: [5-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]oxy-3-carbethoxy-2-phenyl-benzofuran-4-yl]methyl-dimethyl-ammonium Formula: C30H28NO7+ MolecularWeight: 514.54582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)OC(=O)C=CC3=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)/C=C/C3=CC4=C(C=C3)OCO4)C[NH+](C)C)C5=CC=CC=C5

InChI

InChI=1S/C30H27NO7/c1-4-34-30(33)28-27-21(17-31(2)3)22(13-14-24(27)38-29(28)20-8-6-5-7-9-20)37-26(32)15-11-19-10-12-23-25(16-19)36-18-35-23/h5-16H,4,17-18H2,1-3H3/p+1/b15-11+