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

Systemtic Name: [(2S)-1-(4-methylpiperazin-4-ium-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-(4-methylpiperazin-4-ium-1-carbonyl)-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(4-methyl-1-piperazin-4-iumyl)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-methylpiperazin-4-ium-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(4-methylpiperazin-4-ium-1-carbonyl)-3-(methylthio)propyl]ammonium Formula: C10H23N3OS+2 MolecularWeight: 233.37412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H21N3OS/c1-12-4-6-13(7-5-12)10(14)9(11)3-8-15-2/h9H,3-8,11H2,1-2H3/p+2/t9-/m0/s1