[(2S)-3-(2-cyanophenoxy)-2-oxidanyl-propyl]-[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]azanium

Systemtic Name: [(2S)-3-(2-cyanophenoxy)-2-oxidanyl-propyl]-[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]azanium Openeye Name: [(2S)-3-(2-cyanophenoxy)-2-hydroxy-propyl]-[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]ammonium CAS Name: [(2S)-3-(2-cyanophenoxy)-2-hydroxypropyl]-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]ammonium IUPAC Name: [(2S)-3-(2-cyanophenoxy)-2-hydroxypropyl]-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]azanium Traditional Name: [(2S)-3-(2-cyanophenoxy)-2-hydroxy-propyl]-[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CNC2=CC=CC=C21)[NH2+]CC(COC3=CC=CC=C3C#N)O

Isomeric SMILES

CC(C)(CC1=CNC2=CC=CC=C21)[NH2+]C[C@@H](COC3=CC=CC=C3C#N)O

InChI

InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3/p+1/t18-/m0/s1