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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dinitro-benzoyl chloride Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dinitro-benzoyl chloride CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3,5-dinitrobenzoyl chloride IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dinitrobenzoyl chloride Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dinitro-benzoyl chloride Formula: C13H16ClN4O5+ MolecularWeight: 343.74294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN4O5/c1-2-15-3-5-16(6-4-15)12-10(17(20)21)7-9(13(14)19)8-11(12)18(22)23/h7-8H,2-6H2,1H3/p+1