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

Systemtic Name: N-[(2S)-2-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(2S)-2-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2S)-2-phenylbutyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-2-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(2S)-2-phenylbutyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O/c1-2-17(18-7-4-3-5-8-18)15-23-19(26)16-24-11-13-25(14-12-24)20-21-9-6-10-22-20/h3-10,17H,2,11-16H2,1H3,(H,23,26)/p+1/t17-/m1/s1