4-[(4-chlorophenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-chlorobenzyl)-N-ethyl-piperazin-4-ium-1-carbothioamide Formula: C14H21ClN3S+ MolecularWeight: 298.85464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)Cl

InChI

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