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

Systemtic Name: tert-butyl-[(2S)-3-[(3-methyl-1H-indol-4-yl)oxy]-2-oxidanyl-propyl]-phenethyl-azanium Openeye Name: tert-butyl-[(2S)-2-hydroxy-3-[(3-methyl-1H-indol-4-yl)oxy]propyl]-phenethyl-ammonium CAS Name: tert-butyl-[(2S)-2-hydroxy-3-[(3-methyl-1H-indol-4-yl)oxy]propyl]-phenethylammonium IUPAC Name: tert-butyl-[(2S)-2-hydroxy-3-[(3-methyl-1H-indol-4-yl)oxy]propyl]-phenethylazanium Traditional Name: tert-butyl-[(2S)-2-hydroxy-3-[(3-methyl-1H-indol-4-yl)oxy]propyl]-phenethyl-ammonium Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC2=C1C(=CC=C2)OCC(C[NH+](CCC3=CC=CC=C3)C(C)(C)C)O

Isomeric SMILES

CC1=CNC2=C1C(=CC=C2)OC[C@H](C[NH+](CCC3=CC=CC=C3)C(C)(C)C)O

InChI

InChI=1S/C24H32N2O2/c1-18-15-25-21-11-8-12-22(23(18)21)28-17-20(27)16-26(24(2,3)4)14-13-19-9-6-5-7-10-19/h5-12,15,20,25,27H,13-14,16-17H2,1-4H3/p+1/t20-/m0/s1