N-[2,3-bis(chloranyl)phenyl]-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[2,3-bis(chloranyl)phenyl]-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(2,3-dichlorophenyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(2,3-dichlorophenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2,3-dichlorophenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(2,3-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=C(C(=CC=C2)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H19Cl2N3S/c1-2-6-18-7-9-19(10-8-18)14(20)17-12-5-3-4-11(15)13(12)16/h3-5H,2,6-10H2,1H3,(H,17,20)/p+1