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

Systemtic Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H27N5O3/c1-2-27-17-4-6-18(7-5-17)28-15-10-21-19(26)16-24-11-13-25(14-12-24)20-22-8-3-9-23-20/h3-9H,2,10-16H2,1H3,(H,21,26)/p+1