1-(5-nitropyridin-2-yl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-(5-nitropyridin-2-yl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-(5-nitro-2-pyridyl)piperazin-1-ium CAS Name: 1-(5-nitro-2-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(5-nitropyridin-2-yl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(5-nitro-2-pyridyl)piperazin-1-ium Formula: C18H21N4O2+ MolecularWeight: 325.38494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2/c23-22(24)17-8-9-18(19-15-17)21-13-11-20(12-14-21)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/p+1/b7-4+