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

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(2-nitrophenyl)methyl]-4-(2-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(2-nitrobenzyl)-4-(pyridin-1-ium-2-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=CC=CC=[NH+]3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=[NH+]3

InChI

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