tert-butyl-[(2S)-3-[(3-methyl-1H-indol-4-yl)oxy]-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: tert-butyl-[(2S)-3-[(3-methyl-1H-indol-4-yl)oxy]-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-tert-butyl-[(2S)-2-hydroxy-3-[(3-methyl-1H-indol-4-yl)oxy]propyl]ammonium CAS Name: tert-butyl-[(2S)-2-hydroxy-3-[(3-methyl-1H-indol-4-yl)oxy]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-tert-butyl-[(2S)-2-hydroxy-3-[(3-methyl-1H-indol-4-yl)oxy]propyl]azanium Traditional Name: benzyl-tert-butyl-[(2S)-2-hydroxy-3-[(3-methyl-1H-indol-4-yl)oxy]propyl]ammonium Formula: C23H31N2O2+ MolecularWeight: 367.50444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC2=C1C(=CC=C2)OCC(C[NH+](CC3=CC=CC=C3)C(C)(C)C)O

Isomeric SMILES

CC1=CNC2=C1C(=CC=C2)OC[C@H](C[NH+](CC3=CC=CC=C3)C(C)(C)C)O

InChI

InChI=1S/C23H30N2O2/c1-17-13-24-20-11-8-12-21(22(17)20)27-16-19(26)15-25(23(2,3)4)14-18-9-6-5-7-10-18/h5-13,19,24,26H,14-16H2,1-4H3/p+1/t19-/m0/s1