N-(3-chloranyl-4-methyl-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C15H23ClN3S+ MolecularWeight: 312.88122

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=S)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=S)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C15H22ClN3S/c1-3-6-18-7-9-19(10-8-18)15(20)17-13-5-4-12(2)14(16)11-13/h4-5,11H,3,6-10H2,1-2H3,(H,17,20)/p+1