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

Systemtic Name: methyl 3-(1-benzofuran-2-ylcarbonylamino)-4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-(benzofuran-2-carbonylamino)-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[2-benzofuranyl(oxo)methyl]amino]-4-(4-methyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-(1-benzofuran-2-carbonylamino)-4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-(benzofuran-2-carbonylamino)-4-(4-methylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-24-9-11-25(12-10-24)18-8-7-16(22(27)28-2)13-17(18)23-21(26)20-14-15-5-3-4-6-19(15)29-20/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)/p+1