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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4Cl

InChI

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