ethyl 5-methoxy-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-methoxy-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-methoxy-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]benzofuran-3-carboxylate CAS Name: 5-methoxy-2-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxylate Traditional Name: 5-methoxy-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C[NH+]3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C[NH+]3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C24H28N2O4/c1-4-29-24(27)23-19-15-18(28-3)9-10-21(19)30-22(23)16-25-11-13-26(14-12-25)20-8-6-5-7-17(20)2/h5-10,15H,4,11-14,16H2,1-3H3/p+1