4-[[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-(4-chlorophenyl)-1-oxopropyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C21H23ClN3O+ MolecularWeight: 368.87982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O/c22-20-8-5-17(6-9-20)7-10-21(26)25-13-11-24(12-14-25)16-19-3-1-18(15-23)2-4-19/h1-6,8-9H,7,10-14,16H2/p+1