[2,3-bis(chloranyl)phenyl] 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoate

Systemtic Name: [2,3-bis(chloranyl)phenyl] 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoate Openeye Name: (2,3-dichlorophenyl) 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzoic acid (2,3-dichlorophenyl) ester IUPAC Name: (2,3-dichlorophenyl) 4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoic acid (2,3-dichlorophenyl) ester Formula: C18H18Cl2N3O4+ MolecularWeight: 411.25922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2N3O4/c1-21-7-9-22(10-8-21)14-6-5-12(11-15(14)23(25)26)18(24)27-16-4-2-3-13(19)17(16)20/h2-6,11H,7-10H2,1H3/p+1