[4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-5-oxidanyl-2-phenyl-1-benzofuran-6-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-5-oxidanyl-2-phenyl-1-benzofuran-6-yl]methyl-dimethyl-azanium Openeye Name: [4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-5-hydroxy-2-phenyl-benzofuran-6-yl]methyl-dimethyl-ammonium CAS Name: [4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-5-hydroxy-2-phenyl-6-benzofuranyl]methyl-dimethylammonium IUPAC Name: [4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-5-hydroxy-2-phenyl-1-benzofuran-6-yl]methyl-dimethylazanium Traditional Name: [3-carbethoxy-4-[(dimethylammonio)methyl]-5-hydroxy-2-phenyl-benzofuran-6-yl]methyl-dimethyl-ammonium Formula: C23H30N2O4+2 MolecularWeight: 398.4953

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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+2