N-(3,4-dichlorophenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3,4-dichlorophenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,4-dichlorophenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3,4-dichlorophenyl)-4-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,4-dichlorophenyl)-4-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3,4-dichlorophenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide Formula: C13H18Cl2N3S+ MolecularWeight: 319.27312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17Cl2N3S/c1-2-17-5-7-18(8-6-17)13(19)16-10-3-4-11(14)12(15)9-10/h3-4,9H,2,5-8H2,1H3,(H,16,19)/p+1