(4-chloranyl-3,5-dinitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-chloranyl-3,5-dinitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-chloro-3,5-dinitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4-chloro-3,5-dinitrophenyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-chloro-3,5-dinitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-chloro-3,5-dinitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C12H14ClN4O5+ MolecularWeight: 329.71636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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