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

Systemtic Name: N-[(2S)-1-pyridin-3-ylpropan-2-yl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-[(1S)-1-methyl-2-(3-pyridyl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-[(2S)-1-(3-pyridinyl)propan-2-yl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-[(2S)-1-pyridin-3-ylpropan-2-yl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-[(1S)-1-methyl-2-(3-pyridyl)ethyl]-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C21H26N7O2+ MolecularWeight: 408.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN=CC=C1)NC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@@H](CC1=CN=CC=C1)NC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H25N7O2/c1-16(12-17-4-2-5-22-13-17)25-20(29)18-15-30-19(26-18)14-27-8-10-28(11-9-27)21-23-6-3-7-24-21/h2-7,13,15-16H,8-12,14H2,1H3,(H,25,29)/p+1/t16-/m0/s1