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

Systemtic Name: 1-(5-nitropyridin-1-ium-2-yl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-(5-nitro-2-pyridin-1-iumyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(5-nitropyridin-1-ium-2-yl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium Formula: C18H22N4O2+2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=[NH+]C=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+2/b7-4+