ethyl 3-[[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[4-[anilino(oxo)methyl]-1-piperidin-1-iumyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]coumarilic acid ethyl ester Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O4/c1-2-29-24(28)22-20(19-10-6-7-11-21(19)30-22)16-26-14-12-17(13-15-26)23(27)25-18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,25,27)/p+1