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

Systemtic Name: 1-(3-nitrophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-(3-nitrophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-(3-nitrophenyl)-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-(3-nitrophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (Z)-(3-nitrobenzylidene)-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C16H18N5O2+ MolecularWeight: 312.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)N=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)/N=C\C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O2/c22-21(23)15-5-3-4-14(12-15)13-18-20-10-8-19(9-11-20)16-6-1-2-7-17-16/h1-7,12-13H,8-11H2/p+1/b18-13-