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

Systemtic Name: 3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-5-(3-pyridinyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione Formula: C19H21ClN5OS+ MolecularWeight: 402.92094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=S)OC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=S)OC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C19H20ClN5OS/c1-14-4-5-16(20)11-17(14)24-9-7-23(8-10-24)13-25-19(27)26-18(22-25)15-3-2-6-21-12-15/h2-6,11-12H,7-10,13H2,1H3/p+1