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

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C15H25N6O2+ MolecularWeight: 321.398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N6O2/c1-3-12(2)18-15(23)19-13(22)11-20-7-9-21(10-8-20)14-16-5-4-6-17-14/h4-6,12H,3,7-11H2,1-2H3,(H2,18,19,22,23)/p+1/t12-/m0/s1