methyl 3-(1-benzofuran-2-ylcarbonylamino)-4-(4-ethylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-(1-benzofuran-2-ylcarbonylamino)-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-(benzofuran-2-carbonylamino)-4-(4-ethylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[2-benzofuranyl(oxo)methyl]amino]-4-(4-ethyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-(1-benzofuran-2-carbonylamino)-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-(benzofuran-2-carbonylamino)-4-(4-ethylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H25N3O4/c1-3-25-10-12-26(13-11-25)19-9-8-17(23(28)29-2)14-18(19)24-22(27)21-15-16-6-4-5-7-20(16)30-21/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,27)/p+1