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

Systemtic Name: [(2S)-1-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[[2-methyl-2-(1-piperidin-1-iumyl)propyl]amino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[(2-methyl-2-piperidin-1-ium-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(2-methyl-2-piperidin-1-ium-1-yl-propyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C14H31N3OS+2 MolecularWeight: 289.48044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C(CCSC)[NH3+])[NH+]1CCCCC1

Isomeric SMILES

CC(C)(CNC(=O)[C@H](CCSC)[NH3+])[NH+]1CCCCC1

InChI

InChI=1S/C14H29N3OS/c1-14(2,17-8-5-4-6-9-17)11-16-13(18)12(15)7-10-19-3/h12H,4-11,15H2,1-3H3,(H,16,18)/p+2/t12-/m0/s1