[(2S)-3-(5-bromanyl-1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium

Systemtic Name: [(2S)-3-(5-bromanyl-1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium Openeye Name: [(1S)-1-[(5-bromo-1H-indol-3-yl)methyl]-2-hydroxy-2-oxo-ethyl]-trimethyl-ammonium CAS Name: [(2S)-3-(5-bromo-1H-indol-3-yl)-1-hydroxy-1-oxopropan-2-yl]-trimethylammonium IUPAC Name: [(2S)-3-(5-bromo-1H-indol-3-yl)-1-hydroxy-1-oxopropan-2-yl]-trimethylazanium Traditional Name: [(1S)-1-[(5-bromo-1H-indol-3-yl)methyl]-2-hydroxy-2-keto-ethyl]-trimethyl-ammonium Formula: C14H18BrN2O2+ MolecularWeight: 326.20892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O

Isomeric SMILES

C[N+](C)(C)[C@@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C14H17BrN2O2/c1-17(2,3)13(14(18)19)6-9-8-16-12-5-4-10(15)7-11(9)12/h4-5,7-8,13,16H,6H2,1-3H3/p+1/t13-/m0/s1