N-[(2S)-2-methylbutyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-[(2S)-2-methylbutyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-[(2S)-2-methylbutyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-[(2S)-2-methylbutyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-[(2S)-2-methylbutyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-[(2S)-2-methylbutyl]-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C18H27N6O2+ MolecularWeight: 359.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)C1=COC(=N1)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC[C@H](C)CNC(=O)C1=COC(=N1)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H26N6O2/c1-3-14(2)11-21-17(25)15-13-26-16(22-15)12-23-7-9-24(10-8-23)18-19-5-4-6-20-18/h4-6,13-14H,3,7-12H2,1-2H3,(H,21,25)/p+1/t14-/m0/s1