2-butylsulfanyl-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-butylsulfanyl-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-butylsulfanyl-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(butylthio)-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-butylsulfanyl-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(butylthio)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C17H27ClN3OS+ MolecularWeight: 356.93378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC1=C(C=CC(=C1)Cl)N2CC[NH+](CC2)C

Isomeric SMILES

CCCCSCC(=O)NC1=C(C=CC(=C1)Cl)N2CC[NH+](CC2)C

InChI

InChI=1S/C17H26ClN3OS/c1-3-4-11-23-13-17(22)19-15-12-14(18)5-6-16(15)21-9-7-20(2)8-10-21/h5-6,12H,3-4,7-11,13H2,1-2H3,(H,19,22)/p+1