N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(4-tert-butylphenoxy)ethyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[2-(4-tert-butylphenoxy)ethyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(4-tert-butylphenoxy)ethyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(4-tert-butylphenoxy)ethyl]acetamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-25(2,3)21-9-11-22(12-10-21)31-18-13-26-23(29)19-27-14-16-28(17-15-27)24(30)20-7-5-4-6-8-20/h4-12H,13-19H2,1-3H3,(H,26,29)/p+1