N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H31N5O2/c1-22(2,3)18-5-7-19(8-6-18)29-16-11-23-20(28)17-26-12-14-27(15-13-26)21-24-9-4-10-25-21/h4-10H,11-17H2,1-3H3,(H,23,28)/p+1