3-ethoxycarbonyl-4-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-methyl-benzo[g][1]benzofuran-5-olate

Systemtic Name: 3-ethoxycarbonyl-4-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-methyl-benzo[g][1]benzofuran-5-olate Openeye Name: 3-ethoxycarbonyl-4-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-methyl-benzo[g]benzofuran-5-olate CAS Name: 3-ethoxycarbonyl-4-[[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]methyl]-2-methyl-5-benzo[g]benzofuranolate IUPAC Name: 3-ethoxycarbonyl-4-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-methylbenzo[g][1]benzofuran-5-olate Traditional Name: 3-carbethoxy-4-[[(3S)-3-carbethoxypiperidin-1-ium-1-yl]methyl]-2-methyl-benzo[g]benzofuran-5-olate Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(C3=CC=CC=C3C4=C2C(=C(O4)C)C(=O)OCC)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(C3=CC=CC=C3C4=C2C(=C(O4)C)C(=O)OCC)[O-]

InChI

InChI=1S/C25H29NO6/c1-4-30-24(28)16-9-8-12-26(13-16)14-19-21-20(25(29)31-5-2)15(3)32-23(21)18-11-7-6-10-17(18)22(19)27/h6-7,10-11,16,27H,4-5,8-9,12-14H2,1-3H3/t16-/m0/s1