1-(2,4-dinitrophenyl)-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,4-dinitrophenyl)-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2,4-dinitrophenyl)piperazin-1-ium CAS Name: 1-(2,4-dinitrophenyl)-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2,4-dinitrophenyl)piperazin-1-ium Traditional Name: 1-benzyl-4-(2,4-dinitrophenyl)piperazin-1-ium Formula: C17H19N4O4+ MolecularWeight: 343.35716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4/c22-20(23)15-6-7-16(17(12-15)21(24)25)19-10-8-18(9-11-19)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1