3-methylsulfanyl-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-methylsulfanyl-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-methylsulfanyl-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(methylthio)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-methylsulfanyl-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-3-(methylthio)propan-1-one Formula: C14H26N3O2S+ MolecularWeight: 300.44014

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CC[NH+](CC1)CC(=O)N2CCCC2

Isomeric SMILES

CSCCC(=O)N1CC[NH+](CC1)CC(=O)N2CCCC2

InChI

InChI=1S/C14H25N3O2S/c1-20-11-4-13(18)17-9-7-15(8-10-17)12-14(19)16-5-2-3-6-16/h2-12H2,1H3/p+1