[(2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-4-methylsulfanyl-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-4-methylsulfanyl-butan-2-yl]azanium Openeye Name: [(1S)-1-[[4-(2-furylmethyl)piperazin-4-ium-1-yl]methyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-4-(methylthio)butan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-4-methylsulfanylbutan-2-yl]azanium Traditional Name: [(1S)-1-[[4-(2-furfuryl)piperazin-4-ium-1-yl]methyl]-3-(methylthio)propyl]ammonium Formula: C14H27N3OS+2 MolecularWeight: 285.44868

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CN1CC[NH+](CC1)CC2=CC=CO2)[NH3+]

Isomeric SMILES

CSCC[C@@H](CN1CC[NH+](CC1)CC2=CC=CO2)[NH3+]

InChI

InChI=1S/C14H25N3OS/c1-19-10-4-13(15)11-16-5-7-17(8-6-16)12-14-3-2-9-18-14/h2-3,9,13H,4-8,10-12,15H2,1H3/p+2/t13-/m0/s1