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

Systemtic Name: 3-(2-methoxyphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 3-(2-methoxyphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoxazole CAS Name: 3-(2-methoxyphenyl)-5-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 3-(2-methoxyphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 3-(2-methoxyphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C20H24N4O2+2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H22N4O2/c1-25-19-7-3-2-6-17(19)18-14-16(26-22-18)15-23-10-12-24(13-11-23)20-8-4-5-9-21-20/h2-9,14H,10-13,15H2,1H3/p+2