2-[4-[2-[(4-chlorophenyl)methylsulfanyl]ethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[2-[(4-chlorophenyl)methylsulfanyl]ethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-[(4-chlorobenzyl)thio]acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C18H27ClN3O2S+ MolecularWeight: 384.94388

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H26ClN3O2S/c1-2-7-20-17(23)12-21-8-10-22(11-9-21)18(24)14-25-13-15-3-5-16(19)6-4-15/h3-6H,2,7-14H2,1H3,(H,20,23)/p+1