N-(4-bromanyl-2-chloranyl-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C12H16BrClN3S+ MolecularWeight: 349.69754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrClN3S/c1-16-4-6-17(7-5-16)12(18)15-11-3-2-9(13)8-10(11)14/h2-3,8H,4-7H2,1H3,(H,15,18)/p+1