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

Systemtic Name: [(2S)-4-methylsulfanyl-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfanyl-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)propyl]ammonium Formula: C14H24N4OS+2 MolecularWeight: 296.43156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)[NH3+]

InChI

InChI=1S/C14H22N4OS/c1-20-11-5-12(15)14(19)18-9-7-17(8-10-18)13-4-2-3-6-16-13/h2-4,6,12H,5,7-11,15H2,1H3/p+2/t12-/m0/s1