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

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(2-nitrophenyl)methyl]-4-(3-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(2-nitrobenzyl)-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Formula: C17H23N4O2+3 MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=C[NH+]=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+3