2-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-N,N-dimethyl-ethanamide

Systemtic Name: 2-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-N,N-dimethyl-ethanamide Openeye Name: 2-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-N,N-dimethyl-acetamide CAS Name: 2-[[2-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]thio]-N,N-dimethylacetamide IUPAC Name: 2-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide Traditional Name: 2-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]thio]-N,N-dimethyl-acetamide Formula: C20H25ClN3O2S2+ MolecularWeight: 439.0144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C20H24ClN3O2S2/c1-22(2)19(25)14-27-17-6-4-3-5-16(17)20(26)24-11-9-23(10-12-24)13-15-7-8-18(21)28-15/h3-8H,9-14H2,1-2H3/p+1