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

Systemtic Name: 3-ethoxycarbonyl-2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzo[g][1]benzofuran-5-olate Openeye Name: 3-ethoxycarbonyl-2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzo[g]benzofuran-5-olate CAS Name: 3-ethoxycarbonyl-2-methyl-4-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-benzo[g]benzofuranolate IUPAC Name: 3-ethoxycarbonyl-2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzo[g][1]benzofuran-5-olate Traditional Name: 3-carbethoxy-2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzo[g]benzofuran-5-olate Formula: C23H27NO4 MolecularWeight: 381.46478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)[O-])C[NH+]4CCC(CC4)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)[O-])C[NH+]4CCC(CC4)C)C

InChI

InChI=1S/C23H27NO4/c1-4-27-23(26)19-15(3)28-22-17-8-6-5-7-16(17)21(25)18(20(19)22)13-24-11-9-14(2)10-12-24/h5-8,14,25H,4,9-13H2,1-3H3