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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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