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

Systemtic Name: 2-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[3-(2-methoxyphenyl)isoxazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[3-(2-methoxyphenyl)-5-isoxazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[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=CC=C4O

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

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