2-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[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=C3C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3C#N

InChI

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