5-(furan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole

Systemtic Name: 5-(furan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 5-(2-furyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]isoxazole CAS Name: 5-(2-furanyl)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-(furan-2-yl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 5-(2-furyl)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C16H18N5O2+ MolecularWeight: 312.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)C4=NC=CC=N4

InChI

InChI=1S/C16H17N5O2/c1-3-14(22-10-1)15-11-13(19-23-15)12-20-6-8-21(9-7-20)16-17-4-2-5-18-16/h1-5,10-11H,6-9,12H2/p+1