4-[(5-chloranylthiophen-2-yl)methyl]-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-thienyl)methyl]-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N-[3-(methylthio)phenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl]-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-chloro-2-thienyl)methyl]-N-[3-(methylthio)phenyl]piperazin-4-ium-1-carboxamide Formula: C17H21ClN3OS2+ MolecularWeight: 382.95114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H20ClN3OS2/c1-23-14-4-2-3-13(11-14)19-17(22)21-9-7-20(8-10-21)12-15-5-6-16(18)24-15/h2-6,11H,7-10,12H2,1H3,(H,19,22)/p+1