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

Systemtic Name: 4-[[4-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-chlorophenoxy)-2-methyl-propanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-chlorophenoxy)-2-methyl-propanoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C22H25ClN3O2+ MolecularWeight: 398.9058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C#N)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C#N)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3O2/c1-22(2,28-20-9-7-19(23)8-10-20)21(27)26-13-11-25(12-14-26)16-18-5-3-17(15-24)4-6-18/h3-10H,11-14,16H2,1-2H3/p+1