2-[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(2-chloro-5-methylsulfanyl-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-chloro-5-(methylthio)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C18H25ClN3O2S+ MolecularWeight: 382.928

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C18H24ClN3O2S/c1-25-14-4-5-16(19)15(12-14)18(24)22-10-8-20(9-11-22)13-17(23)21-6-2-3-7-21/h4-5,12H,2-3,6-11,13H2,1H3/p+1