(4-bromophenyl) 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoate

Systemtic Name: (4-bromophenyl) 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoate Openeye Name: (4-bromophenyl) 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoic acid (4-bromophenyl) ester Formula: C18H19BrN3O4+ MolecularWeight: 421.26516

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN3O4/c1-20-8-10-21(11-9-20)16-7-2-13(12-17(16)22(24)25)18(23)26-15-5-3-14(19)4-6-15/h2-7,12H,8-11H2,1H3/p+1