N-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanamide

Systemtic Name: N-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanamide Openeye Name: N-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]acetamide CAS Name: N-[4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C17H22N5O+ MolecularWeight: 312.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H21N5O/c1-14(23)20-16-5-3-15(4-6-16)13-21-9-11-22(12-10-21)17-18-7-2-8-19-17/h2-8H,9-13H2,1H3,(H,20,23)/p+1