4-[[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(3-nitro-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C17H19N5O2+2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

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