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

Systemtic Name: tert-butyl-[(2S)-3-[(3-methyl-1H-indol-4-yl)oxy]-2-oxidanyl-propyl]azanium Openeye Name: 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]ammonium IUPAC Name: tert-butyl-[(2S)-2-hydroxy-3-[(3-methyl-1H-indol-4-yl)oxy]propyl]azanium Traditional Name: tert-butyl-[(2S)-2-hydroxy-3-[(3-methyl-1H-indol-4-yl)oxy]propyl]ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC2=C1C(=CC=C2)OCC(C[NH2+]C(C)(C)C)O

Isomeric SMILES

CC1=CNC2=C1C(=CC=C2)OC[C@H](C[NH2+]C(C)(C)C)O

InChI

InChI=1S/C16H24N2O2/c1-11-8-17-13-6-5-7-14(15(11)13)20-10-12(19)9-18-16(2,3)4/h5-8,12,17-19H,9-10H2,1-4H3/p+1/t12-/m0/s1