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

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-nitrophenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-nitrophenyl)methyl]-4-(3-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-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=CC(=CC=C2)[N+](=O)[O-])CC3=C[NH+]=CC=C3

Isomeric SMILES

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

InChI

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