N-[(2S)-2-phenylpropyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(2S)-2-phenylpropyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(2S)-2-phenylpropyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2S)-2-phenylpropyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-2-phenylpropyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(2S)-2-phenylpropyl]-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:

CC(CNC(=O)C[NH+]1CCN(CC1)C2=NC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C[NH+]1CCN(CC1)C2=NC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H25N5O/c1-16(17-6-3-2-4-7-17)14-22-18(25)15-23-10-12-24(13-11-23)19-20-8-5-9-21-19/h2-9,16H,10-15H2,1H3,(H,22,25)/p+1/t16-/m1/s1