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

Systemtic Name: 2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[3-(4-chlorophenyl)isoxazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[[3-(4-chlorophenyl)isoxazol-5-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C20H21ClN3O2+ MolecularWeight: 370.85264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4O

InChI

InChI=1S/C20H20ClN3O2/c21-16-7-5-15(6-8-16)18-13-17(26-22-18)14-23-9-11-24(12-10-23)19-3-1-2-4-20(19)25/h1-8,13,25H,9-12,14H2/p+1