1-[(3-nitrophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-nitrophenyl)methyl]-4-(2-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-nitrophenyl)methyl]-4-(2-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-nitrobenzyl)-4-(2-pyridylmethyl)piperazine-1,4-diium Formula: C17H22N4O2+2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=N3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=N3

InChI

InChI=1S/C17H20N4O2/c22-21(23)17-6-3-4-15(12-17)13-19-8-10-20(11-9-19)14-16-5-1-2-7-18-16/h1-7,12H,8-11,13-14H2/p+2