4-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[[3-(2-methoxyphenyl)isoxazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[[3-(2-methoxyphenyl)-5-isoxazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[[3-(2-methoxyphenyl)isoxazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-26-21-5-3-2-4-19(21)20-14-18(27-22-20)15-23-10-12-24(13-11-23)16-6-8-17(25)9-7-16/h2-9,14,25H,10-13,15H2,1H3/p+1