(3,5-dinitrophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3,5-dinitrophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (3,5-dinitrophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (3,5-dinitrophenyl)-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3,5-dinitrophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (3,5-dinitrophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C13H17N4O5+ MolecularWeight: 309.29788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O5/c1-2-14-3-5-15(6-4-14)13(18)10-7-11(16(19)20)9-12(8-10)17(21)22/h7-9H,2-6H2,1H3/p+1