3-ethoxycarbonyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-phenyl-1-benzofuran-5-olate

Systemtic Name: 3-ethoxycarbonyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-phenyl-1-benzofuran-5-olate Openeye Name: 3-ethoxycarbonyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-phenyl-benzofuran-5-olate CAS Name: 3-ethoxycarbonyl-4-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-phenyl-5-benzofuranolate IUPAC Name: 3-ethoxycarbonyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-phenyl-1-benzofuran-5-olate Traditional Name: 3-carbethoxy-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-phenyl-benzofuran-5-olate Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)[O-])C[NH+]3CCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)[O-])C[NH+]3CCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O4/c1-3-28-23(27)21-20-17(15-25-13-11-24(2)12-14-25)18(26)9-10-19(20)29-22(21)16-7-5-4-6-8-16/h4-10,26H,3,11-15H2,1-2H3