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

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-furyl)isoxazole CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-5-(2-furanyl)isoxazole IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-furyl)isoxazole Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CO4)C

InChI

InChI=1S/C20H23N3O2/c1-15-5-3-6-18(16(15)2)23-10-8-22(9-11-23)14-17-13-20(25-21-17)19-7-4-12-24-19/h3-7,12-13H,8-11,14H2,1-2H3/p+1