[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-(4-ethylpiperazin-4-ium-1-carbonyl)-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(4-ethylpiperazin-4-ium-1-carbonyl)-3-(methylthio)propyl]ammonium Formula: C11H25N3OS+2 MolecularWeight: 247.4007

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(CCSC)[NH3+]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C11H23N3OS/c1-3-13-5-7-14(8-6-13)11(15)10(12)4-9-16-2/h10H,3-9,12H2,1-2H3/p+2/t10-/m0/s1