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

Systemtic Name: 4-[[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2,2-dimethyl-1-oxopropyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[(4-pivaloylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H23N3O/c1-17(2,3)16(21)20-10-8-19(9-11-20)13-15-6-4-14(12-18)5-7-15/h4-7H,8-11,13H2,1-3H3/p+1