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

Systemtic Name: 5-(furan-2-yl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 5-(2-furyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoxazole CAS Name: 5-(2-furanyl)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-(furan-2-yl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 5-(2-furyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C17H20N4O2+2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H18N4O2/c1-2-6-18-17(5-1)21-9-7-20(8-10-21)13-14-12-16(23-19-14)15-4-3-11-22-15/h1-6,11-12H,7-10,13H2/p+2