3-(1H-indol-3-ylsulfanyl)propanoate; tris(2-hydroxyethyl)azanium

Systemtic Name: 3-(1H-indol-3-ylsulfanyl)propanoate; tris(2-hydroxyethyl)azanium Openeye Name: 3-(1H-indol-3-ylsulfanyl)propanoate; tris(2-hydroxyethyl)ammonium CAS Name: 3-(1H-indol-3-ylthio)propanoate; tris(2-hydroxyethyl)ammonium IUPAC Name: 3-(1H-indol-3-ylsulfanyl)propanoate; tris(2-hydroxyethyl)azanium Traditional Name: 3-(1H-indol-3-ylthio)propionate; tris(2-hydroxyethyl)ammonium Formula: C17H26N2O5S MolecularWeight: 370.46374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)SCCC(=O)[O-].C(CO)[NH+](CCO)CCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)SCCC(=O)[O-].C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C11H11NO2S.C6H15NO3/c13-11(14)5-6-15-10-7-12-9-4-2-1-3-8(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,7,12H,5-6H2,(H,13,14);8-10H,1-6H2