2-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(2-nitrophenyl)methyl]-1-piperazin-4-iumyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(2-nitrophenyl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(2-nitrobenzyl)piperazin-4-ium-1-yl]isonicotinonitrile Formula: C17H18N5O2+ MolecularWeight: 324.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O2/c18-12-14-5-6-19-17(11-14)21-9-7-20(8-10-21)13-15-3-1-2-4-16(15)22(23)24/h1-6,11H,7-10,13H2/p+1