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

Systemtic Name: 3-(4-chlorophenyl)-5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3-(4-chlorophenyl)-5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 3-(4-chlorophenyl)-5-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 3-(4-chlorophenyl)-5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3-(4-chlorophenyl)-5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-26-19-8-6-18(7-9-19)25-12-10-24(11-13-25)15-20-14-21(23-27-20)16-2-4-17(22)5-3-16/h2-9,14H,10-13,15H2,1H3/p+1