1-(2-nitrophenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2-nitrophenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium Openeye Name: 1-(2-nitrophenyl)-4-(4-pyridylmethyl)piperazin-4-ium CAS Name: 1-(2-nitrophenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium IUPAC Name: 1-(2-nitrophenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium Traditional Name: 1-(2-nitrophenyl)-4-(4-pyridylmethyl)piperazin-4-ium Formula: C16H19N4O2+ MolecularWeight: 299.34766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2/c21-20(22)16-4-2-1-3-15(16)19-11-9-18(10-12-19)13-14-5-7-17-8-6-14/h1-8H,9-13H2/p+1