[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl] ester Formula: C24H26BrN2O5+ MolecularWeight: 502.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H25BrN2O5/c1-17-20-15-18(25)7-8-21(20)32-23(17)24(29)31-16-22(28)27-11-9-26(10-12-27)13-14-30-19-5-3-2-4-6-19/h2-8,15H,9-14,16H2,1H3/p+1