(2R)-2-(furan-2-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: (2R)-2-(furan-2-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-2-(2-furyl)acetonitrile CAS Name: (2R)-2-(4-benzoyl-1-piperazin-1-iumyl)-2-(2-furanyl)acetonitrile IUPAC Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-2-(furan-2-yl)acetonitrile Traditional Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-2-(2-furyl)acetonitrile Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C#N)C2=CC=CO2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C#N)C2=CC=CO2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O2/c18-13-15(16-7-4-12-22-16)19-8-10-20(11-9-19)17(21)14-5-2-1-3-6-14/h1-7,12,15H,8-11H2/p+1/t15-/m1/s1