N-(2-chloranyl-4,6-dimethyl-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C16H25ClN3S+ MolecularWeight: 326.9078

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=S)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=S)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C16H24ClN3S/c1-4-5-19-6-8-20(9-7-19)16(21)18-15-13(3)10-12(2)11-14(15)17/h10-11H,4-9H2,1-3H3,(H,18,21)/p+1