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

Systemtic Name: 3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]isoxazole CAS Name: 3-(4-methoxyphenyl)-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]isoxazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 3-(4-methoxyphenyl)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2/c1-25-19-9-7-17(8-10-19)21-15-20(26-22-21)16-23-11-13-24(14-12-23)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/p+1