methyl 3-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-[(5-bromo-2-chloro-benzoyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-4-(4-methyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromo-2-chlorobenzoyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-[(5-bromo-2-chloro-benzoyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C20H22BrClN3O3+ MolecularWeight: 467.76398

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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=C(C=CC(=C3)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClN3O3/c1-24-7-9-25(10-8-24)18-6-3-13(20(27)28-2)11-17(18)23-19(26)15-12-14(21)4-5-16(15)22/h3-6,11-12H,7-10H2,1-2H3,(H,23,26)/p+1