4-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-benzoyl chloride

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-benzoyl chloride Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-benzoyl chloride CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3,5-dinitrobenzoyl chloride IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitrobenzoyl chloride Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3,5-dinitro-benzoyl chloride Formula: C12H14ClN4O5+ MolecularWeight: 329.71636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN4O5/c1-14-2-4-15(5-3-14)11-9(16(19)20)6-8(12(13)18)7-10(11)17(21)22/h6-7H,2-5H2,1H3/p+1