N-tert-butyl-2-[4-[2-(4-phenylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(4-phenylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-(4-phenylphenoxy)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-24(2,3)25-22(28)17-26-13-15-27(16-14-26)23(29)18-30-21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3,(H,25,28)/p+1