ethyl 3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]coumarilic acid ethyl ester Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-3-28-23(26)22-20(19-9-4-5-10-21(19)29-22)16-24-11-13-25(14-12-24)17-7-6-8-18(15-17)27-2/h4-10,15H,3,11-14,16H2,1-2H3/p+1