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

Systemtic Name: 4-[[4-[4-(4-ethanoylphenoxy)butanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(4-acetylphenoxy)butanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[4-(4-acetylphenoxy)-1-oxobutyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(4-acetylphenoxy)butanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(4-acetylphenoxy)butanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-19(28)22-8-10-23(11-9-22)30-16-2-3-24(29)27-14-12-26(13-15-27)18-21-6-4-20(17-25)5-7-21/h4-11H,2-3,12-16,18H2,1H3/p+1