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

Systemtic Name: 5-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 5-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoxazole CAS Name: 5-phenyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 5-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C19H22N4O+2 MolecularWeight: 322.40418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O/c1-2-6-16(7-3-1)18-14-17(21-24-18)15-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h1-9,14H,10-13,15H2/p+2