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

Systemtic Name: 5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)isoxazole CAS Name: 5-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-3-(4-methoxyphenyl)isoxazole IUPAC Name: 5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)isoxazole Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C23H27N3O2/c1-17-5-4-6-23(18(17)2)26-13-11-25(12-14-26)16-21-15-22(24-28-21)19-7-9-20(27-3)10-8-19/h4-10,15H,11-14,16H2,1-3H3/p+1