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

Systemtic Name: 5-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-3-(2-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-3-(2-pyridinyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-3-(2-pyridyl)-1,2,4-oxadiazole Formula: C19H21ClN5O+ MolecularWeight: 370.85594

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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=N4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=N4

InChI

InChI=1S/C19H20ClN5O/c1-14-5-6-15(20)12-17(14)25-10-8-24(9-11-25)13-18-22-19(23-26-18)16-4-2-3-7-21-16/h2-7,12H,8-11,13H2,1H3/p+1