(4-methyl-3,5-dinitro-phenyl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (4-methyl-3,5-dinitro-phenyl)-piperazin-4-ium-1-yl-methanone Openeye Name: (4-methyl-3,5-dinitro-phenyl)-piperazin-4-ium-1-yl-methanone CAS Name: (4-methyl-3,5-dinitrophenyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (4-methyl-3,5-dinitrophenyl)-piperazin-4-ium-1-ylmethanone Traditional Name: (4-methyl-3,5-dinitro-phenyl)-piperazin-4-ium-1-yl-methanone Formula: C12H15N4O5+ MolecularWeight: 295.2713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O5/c1-8-10(15(18)19)6-9(7-11(8)16(20)21)12(17)14-4-2-13-3-5-14/h6-7,13H,2-5H2,1H3/p+1