N-[3,5-bis(chloranyl)phenyl]-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,5-dichlorophenyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-dichlorophenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,5-dichlorophenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3,5-dichlorophenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C14H20Cl2N3S+ MolecularWeight: 333.2997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19Cl2N3S/c1-2-3-18-4-6-19(7-5-18)14(20)17-13-9-11(15)8-12(16)10-13/h8-10H,2-7H2,1H3,(H,17,20)/p+1