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

Systemtic Name: 3-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21N3O/c1-16(24)19-5-7-20(8-6-19)23-11-9-22(10-12-23)15-18-4-2-3-17(13-18)14-21/h2-8,13H,9-12,15H2,1H3/p+1