methyl 3-[(2-bromophenyl)carbonylamino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-[(2-bromophenyl)carbonylamino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-[(2-bromobenzoyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[(2-bromophenyl)-oxomethyl]amino]-4-(4-methyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-bromobenzoyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-[(2-bromobenzoyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C20H23BrN3O3+ MolecularWeight: 433.31892

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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=CC=CC=C3Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H22BrN3O3/c1-23-9-11-24(12-10-23)18-8-7-14(20(26)27-2)13-17(18)22-19(25)15-5-3-4-6-16(15)21/h3-8,13H,9-12H2,1-2H3,(H,22,25)/p+1