1-[(4-nitrophenyl)methyl]-4-pyridin-2-yl-piperazin-1-ium

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-pyridin-2-yl-piperazin-1-ium Openeye Name: 1-[(4-nitrophenyl)methyl]-4-(2-pyridyl)piperazin-1-ium CAS Name: 1-[(4-nitrophenyl)methyl]-4-(2-pyridinyl)piperazin-1-ium IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-pyridin-2-ylpiperazin-1-ium Traditional Name: 1-(4-nitrobenzyl)-4-(2-pyridyl)piperazin-1-ium Formula: C16H19N4O2+ MolecularWeight: 299.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3

InChI

InChI=1S/C16H18N4O2/c21-20(22)15-6-4-14(5-7-15)13-18-9-11-19(12-10-18)16-3-1-2-8-17-16/h1-8H,9-13H2/p+1