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

Systemtic Name: [(2S)-1-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[[2-methyl-2-(1-pyrrolidin-1-iumyl)propyl]amino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[(2-methyl-2-pyrrolidin-1-ium-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H29N3OS+2 MolecularWeight: 275.45386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C(CCSC)[NH3+])[NH+]1CCCC1

Isomeric SMILES

CC(C)(CNC(=O)[C@H](CCSC)[NH3+])[NH+]1CCCC1

InChI

InChI=1S/C13H27N3OS/c1-13(2,16-7-4-5-8-16)10-15-12(17)11(14)6-9-18-3/h11H,4-10,14H2,1-3H3,(H,15,17)/p+2/t11-/m0/s1