2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethanimidate

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethanimidate Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethanimidate CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethanimidate IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetimidate Formula: C21H28ClN5OS MolecularWeight: 433.99792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=NC3=NN=C(S3)C4CCCCC4)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=NC3=NN=C(S3)C4CCCCC4)[O-]

InChI

InChI=1S/C21H28ClN5OS/c1-15-7-8-17(22)13-18(15)27-11-9-26(10-12-27)14-19(28)23-21-25-24-20(29-21)16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12,14H2,1H3,(H,23,25,28)