4-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]benzonitrile CAS Name: 4-[(4-benzoyl-1-piperazin-1-iumyl)methyl]benzonitrile IUPAC Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C19H20N3O+ MolecularWeight: 306.3816

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O/c20-14-16-6-8-17(9-7-16)15-21-10-12-22(13-11-21)19(23)18-4-2-1-3-5-18/h1-9H,10-13,15H2/p+1