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

Systemtic Name: [(2S)-4-methylsulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[(4-pyridin-1-ium-2-ylpiperazino)methyl]propyl]ammonium Formula: C14H26N4S+2 MolecularWeight: 282.44804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CN1CCN(CC1)C2=CC=CC=[NH+]2)[NH3+]

Isomeric SMILES

CSCC[C@@H](CN1CCN(CC1)C2=CC=CC=[NH+]2)[NH3+]

InChI

InChI=1S/C14H24N4S/c1-19-11-5-13(15)12-17-7-9-18(10-8-17)14-4-2-3-6-16-14/h2-4,6,13H,5,7-12,15H2,1H3/p+2/t13-/m0/s1