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

Systemtic Name: 3-ethoxycarbonyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-phenyl-1-benzofuran-5-olate Openeye Name: 3-ethoxycarbonyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-phenyl-benzofuran-5-olate CAS Name: 3-ethoxycarbonyl-4-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-phenyl-5-benzofuranolate IUPAC Name: 3-ethoxycarbonyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-phenyl-1-benzofuran-5-olate Traditional Name: 3-carbethoxy-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-phenyl-benzofuran-5-olate Formula: C24H27NO4 MolecularWeight: 393.47548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4/c1-3-28-24(27)22-21-18(15-25-13-11-16(2)12-14-25)19(26)9-10-20(21)29-23(22)17-7-5-4-6-8-17/h4-10,16,26H,3,11-15H2,1-2H3