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

Systemtic Name: N-(3,4-dichlorophenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,4-dichlorophenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3,4-dichlorophenyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,4-dichlorophenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3,4-dichlorophenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C12H16Cl2N3S+ MolecularWeight: 305.24654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15Cl2N3S/c1-16-4-6-17(7-5-16)12(18)15-9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3,(H,15,18)/p+1