N-(4-chlorophenyl)-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-chlorophenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C14H21ClN3S+ MolecularWeight: 298.85464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3S/c1-2-7-17-8-10-18(11-9-17)14(19)16-13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3,(H,16,19)/p+1