N-(4-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-ethoxyphenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-p-phenetyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H24N5O2+ MolecularWeight: 342.41546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c1-2-25-16-6-4-15(5-7-16)21-17(24)14-22-10-12-23(13-11-22)18-19-8-3-9-20-18/h3-9H,2,10-14H2,1H3,(H,21,24)/p+1