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

Systemtic Name: 3-(4-methoxyphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2-oxazole Openeye Name: 3-(4-methoxyphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]isoxazole CAS Name: 3-(4-methoxyphenyl)-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]isoxazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2-oxazole Traditional Name: 3-(4-methoxyphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazino)methyl]isoxazole Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

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