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

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(2-nitrophenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(2-nitrophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(2-nitrobenzyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C16H20N4O2+2 MolecularWeight: 300.3556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=[NH+]3

InChI

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