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

Systemtic Name: 4-[[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(3-methyl-1-oxobutyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[(4-isovalerylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O/c1-14(2)11-17(21)20-9-7-19(8-10-20)13-16-5-3-15(12-18)4-6-16/h3-6,14H,7-11,13H2,1-2H3/p+1