1-[(2-nitrophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium Openeye Name: 1-[(2-nitrophenyl)methyl]-4-(4-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium Traditional Name: 1-(2-nitrobenzyl)-4-(4-pyridylmethyl)piperazin-4-ium Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

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