N-[2-(3-methylphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(3-methylphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(3-methylphenoxy)ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(3-methylphenoxy)ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C19H26N5O2+ MolecularWeight: 356.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H25N5O2/c1-16-4-2-5-17(14-16)26-13-8-20-18(25)15-23-9-11-24(12-10-23)19-21-6-3-7-22-19/h2-7,14H,8-13,15H2,1H3,(H,20,25)/p+1