ethyl 1-[(3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-ethoxycarbonyl-5-methoxy-benzofuran-2-yl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-ethoxycarbonyl-5-methoxy-2-benzofuranyl)methyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[(3-carbethoxy-5-methoxy-benzofuran-2-yl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C27H32NO6+ MolecularWeight: 466.54608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO6/c1-4-32-25(29)24-21-17-20(31-3)11-12-22(21)34-23(24)18-28-15-13-27(14-16-28,26(30)33-5-2)19-9-7-6-8-10-19/h6-12,17H,4-5,13-16,18H2,1-3H3/p+1