5-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 5-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]benzonitrile Traditional Name: 5-nitro-2-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]benzonitrile Formula: C17H18N5O2+ MolecularWeight: 324.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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