[(2S)-3-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-2-oxidanyl-propyl]-tert-butyl-azanium

Systemtic Name: [(2S)-3-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-2-oxidanyl-propyl]-tert-butyl-azanium Openeye Name: [(2S)-3-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-2-hydroxy-propyl]-tert-butyl-ammonium CAS Name: [(2S)-3-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-2-hydroxypropyl]-tert-butylammonium IUPAC Name: [(2S)-3-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-2-hydroxypropyl]-tert-butylazanium Traditional Name: [(2S)-3-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-2-hydroxy-propyl]-tert-butyl-ammonium Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CNC2=C1C=C(C=C2)OCC(C[NH2+]C(C)(C)C)O

Isomeric SMILES

CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC[C@H](C[NH2+]C(C)(C)C)O

InChI

InChI=1S/C19H29N3O3/c1-13(23)20-8-7-14-10-21-18-6-5-16(9-17(14)18)25-12-15(24)11-22-19(2,3)4/h5-6,9-10,15,21-22,24H,7-8,11-12H2,1-4H3,(H,20,23)/p+1/t15-/m0/s1