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

Systemtic Name: 3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-isoxazole CAS Name: 3-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-5-phenylisoxazole IUPAC Name: 3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-isoxazole Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c1-17-7-5-6-10-20(17)24-13-11-23(12-14-24)16-19-15-21(25-22-19)18-8-3-2-4-9-18/h2-10,15H,11-14,16H2,1H3/p+1