1-(3-nitrophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanimine

Systemtic Name: 1-(3-nitrophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanimine Openeye Name: 1-(3-nitrophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanimine CAS Name: 1-(3-nitrophenyl)-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanimine IUPAC Name: 1-(3-nitrophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanimine Traditional Name: (Z)-1-(3-nitrophenyl)ethylidene-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C17H20N5O2+ MolecularWeight: 326.373

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN1CCN(CC1)C2=CC=CC=[NH+]2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N/N1CCN(CC1)C2=CC=CC=[NH+]2)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O2/c1-14(15-5-4-6-16(13-15)22(23)24)19-21-11-9-20(10-12-21)17-7-2-3-8-18-17/h2-8,13H,9-12H2,1H3/p+1/b19-14-