4-[[4-[1-(4-chlorophenyl)cyclobutyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(4-chlorophenyl)cyclobutyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-(4-chlorophenyl)cyclobutyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H25ClN3O+ MolecularWeight: 394.9171

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H24ClN3O/c24-21-8-6-20(7-9-21)23(10-1-11-23)22(28)27-14-12-26(13-15-27)17-19-4-2-18(16-25)3-5-19/h2-9H,1,10-15,17H2/p+1