4-[[4-[4-(pyrazol-1-ylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(pyrazol-1-ylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[4-(1-pyrazolylmethyl)phenyl]methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H24N5O+ MolecularWeight: 386.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C23H23N5O/c24-16-19-2-4-20(5-3-19)17-26-12-14-27(15-13-26)23(29)22-8-6-21(7-9-22)18-28-11-1-10-25-28/h1-11H,12-15,17-18H2/p+1