2-hydroxyethyl-[2-[(2S,3R)-3-methylsulfanyl-2,3-dihydro-1H-indol-2-yl]ethyl]azanium

Systemtic Name: 2-hydroxyethyl-[2-[(2S,3R)-3-methylsulfanyl-2,3-dihydro-1H-indol-2-yl]ethyl]azanium Openeye Name: 2-hydroxyethyl-[2-[(2S,3R)-3-methylsulfanylindolin-2-yl]ethyl]ammonium CAS Name: 2-hydroxyethyl-[2-[(2S,3R)-3-(methylthio)-2,3-dihydro-1H-indol-2-yl]ethyl]ammonium IUPAC Name: 2-hydroxyethyl-[2-[(2S,3R)-3-methylsulfanyl-2,3-dihydro-1H-indol-2-yl]ethyl]azanium Traditional Name: 2-hydroxyethyl-[2-[(2S,3R)-3-(methylthio)indolin-2-yl]ethyl]ammonium Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

CSC1C(NC2=CC=CC=C12)CC[NH2+]CCO

Isomeric SMILES

CS[C@H]1[C@@H](NC2=CC=CC=C12)CC[NH2+]CCO

InChI

InChI=1S/C13H20N2OS/c1-17-13-10-4-2-3-5-11(10)15-12(13)6-7-14-8-9-16/h2-5,12-16H,6-9H2,1H3/p+1/t12-,13+/m0/s1