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

Systemtic Name: 1-(2-nitrophenyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium Openeye Name: 1-(2-nitrophenyl)-4-[2-(4-pyridyl)ethyl]piperazin-4-ium CAS Name: 1-(2-nitrophenyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium IUPAC Name: 1-(2-nitrophenyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium Traditional Name: 1-(2-nitrophenyl)-4-[2-(4-pyridyl)ethyl]piperazin-4-ium Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)C3=CC=CC=C3[N+](=O)[O-]

InChI

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