4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzonitrile Formula: C13H17N4O3+ MolecularWeight: 277.29908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3/c14-10-11-1-2-12(13(9-11)17(19)20)16-5-3-15(4-6-16)7-8-18/h1-2,9,18H,3-8H2/p+1