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

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(2-nitrophenyl)methyl]-4-(3-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(2-nitrophenyl)methyl]-4-(3-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(2-nitrobenzyl)-4-(3-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=CN=CC=C2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CN=CC=C2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

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