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

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-[[(1S)-isochroman-1-yl]methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-[[(1S)-isochroman-1-yl]methyl]-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C23H27N6O3+ MolecularWeight: 435.49888

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)C3=COC(=N3)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CO[C@@H](C2=CC=CC=C21)CNC(=O)C3=COC(=N3)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H26N6O3/c30-22(26-14-20-18-5-2-1-4-17(18)6-13-31-20)19-16-32-21(27-19)15-28-9-11-29(12-10-28)23-24-7-3-8-25-23/h1-5,7-8,16,20H,6,9-15H2,(H,26,30)/p+1/t20-/m1/s1