[(2S)-1-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[[2-methyl-2-(4-morpholin-4-iumyl)propyl]amino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H29N3O2S+2 MolecularWeight: 291.45326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C(CCSC)[NH3+])[NH+]1CCOCC1

Isomeric SMILES

CC(C)(CNC(=O)[C@H](CCSC)[NH3+])[NH+]1CCOCC1

InChI

InChI=1S/C13H27N3O2S/c1-13(2,16-5-7-18-8-6-16)10-15-12(17)11(14)4-9-19-3/h11H,4-10,14H2,1-3H3,(H,15,17)/p+2/t11-/m0/s1