4,6-bis[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-olate

Systemtic Name: 4,6-bis[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-olate Openeye Name: 4,6-bis[(dimethylammonio)methyl]-3-ethoxycarbonyl-2-phenyl-benzofuran-5-olate CAS Name: 4,6-bis[(dimethylammonio)methyl]-3-ethoxycarbonyl-2-phenyl-5-benzofuranolate IUPAC Name: 4,6-bis[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-olate Traditional Name: 3-carbethoxy-4,6-bis[(dimethylammonio)methyl]-2-phenyl-benzofuran-5-olate Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)C[NH+](C)C)[O-])C[NH+](C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)C[NH+](C)C)[O-])C[NH+](C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4/c1-6-28-23(27)20-19-17(14-25(4)5)21(26)16(13-24(2)3)12-18(19)29-22(20)15-10-8-7-9-11-15/h7-12,26H,6,13-14H2,1-5H3/p+1