1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(E)-3-(2-nitrophenyl)allyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(E)-3-(2-nitrophenyl)allyl]-4-pyridin-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[N+](=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=[NH+]3

InChI

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