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

Systemtic Name: 5-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C20H22ClN4O+ MolecularWeight: 369.86788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O/c1-15-7-8-17(21)13-18(15)25-11-9-24(10-12-25)14-19-22-20(23-26-19)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3/p+1