4-[[4-[2-(2-propan-2-ylphenoxy)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2-propan-2-ylphenoxy)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-isopropylphenoxy)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2-propan-2-ylphenoxy)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-isopropylphenoxy)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H27N3O2/c1-18(2)21-5-3-4-6-22(21)28-17-23(27)26-13-11-25(12-14-26)16-20-9-7-19(15-24)8-10-20/h3-10,18H,11-14,16-17H2,1-2H3/p+1