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

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

Isomeric SMILES

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

InChI

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