2-[1-(phenylmethyl)indol-3-yl]sulfanylethanoate; tris(2-hydroxyethyl)azanium

Systemtic Name: 2-[1-(phenylmethyl)indol-3-yl]sulfanylethanoate; tris(2-hydroxyethyl)azanium Openeye Name: 2-(1-benzylindol-3-yl)sulfanylacetate; tris(2-hydroxyethyl)ammonium CAS Name: 2-[[1-(phenylmethyl)-3-indolyl]thio]acetate; tris(2-hydroxyethyl)ammonium IUPAC Name: 2-(1-benzylindol-3-yl)sulfanylacetate; tris(2-hydroxyethyl)azanium Traditional Name: 2-[(1-benzylindol-3-yl)thio]acetate; tris(2-hydroxyethyl)ammonium Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)[O-].C(CO)[NH+](CCO)CCO

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)[O-].C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C17H15NO2S.C6H15NO3/c19-17(20)12-21-16-11-18(10-13-6-2-1-3-7-13)15-9-5-4-8-14(15)16;8-4-1-7(2-5-9)3-6-10/h1-9,11H,10,12H2,(H,19,20);8-10H,1-6H2