4-[[4-[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(5-phenyloxazol-2-yl)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-(5-phenyl-2-oxazolyl)phenyl]methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(5-phenyloxazol-2-yl)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C28H25N4O2+ MolecularWeight: 449.5237

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3C4=NC=C(O4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3C4=NC=C(O4)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O2/c29-18-21-10-12-22(13-11-21)20-31-14-16-32(17-15-31)28(33)25-9-5-4-8-24(25)27-30-19-26(34-27)23-6-2-1-3-7-23/h1-13,19H,14-17,20H2/p+1