1-(2,6-dinitrophenyl)-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,6-dinitrophenyl)-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2,6-dinitrophenyl)piperazin-1-ium CAS Name: 1-(2,6-dinitrophenyl)-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2,6-dinitrophenyl)piperazin-1-ium Traditional Name: 1-benzyl-4-(2,6-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=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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