N-(2-ethyl-6-methyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C19H26N5O+ MolecularWeight: 340.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C19H25N5O/c1-3-16-7-4-6-15(2)18(16)22-17(25)14-23-10-12-24(13-11-23)19-20-8-5-9-21-19/h4-9H,3,10-14H2,1-2H3,(H,22,25)/p+1