1-[(3-nitrophenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(3-nitrophenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(3-nitrophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(3-nitrobenzyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C16H20N4O2+2 MolecularWeight: 300.3556

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