N-[2-[(2R)-oxan-2-yl]ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-[2-[(2R)-oxan-2-yl]ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-N-[2-[(2R)-tetrahydropyran-2-yl]ethyl]oxazole-4-carboxamide CAS Name: N-[2-[(2R)-2-oxanyl]ethyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-[2-[(2R)-oxan-2-yl]ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: 2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-N-[2-[(2R)-tetrahydropyran-2-yl]ethyl]oxazole-4-carboxamide Formula: C20H29N6O3+ MolecularWeight: 401.48266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CCNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCO[C@H](C1)CCNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H28N6O3/c27-19(21-8-5-16-4-1-2-13-28-16)17-15-29-18(24-17)14-25-9-11-26(12-10-25)20-22-6-3-7-23-20/h3,6-7,15-16H,1-2,4-5,8-14H2,(H,21,27)/p+1/t16-/m1/s1