tert-butyl-[(2S)-2-oxidanyl-3-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]azanium

Systemtic Name: tert-butyl-[(2S)-2-oxidanyl-3-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]azanium Openeye Name: tert-butyl-[(2S)-2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]ammonium CAS Name: tert-butyl-[(2S)-2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]ammonium IUPAC Name: tert-butyl-[(2S)-2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]azanium Traditional Name: tert-butyl-[(2S)-2-hydroxy-3-[(2-keto-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(COC1=CC=CC2=C1CCC(=O)N2)O

Isomeric SMILES

CC(C)(C)[NH2+]C[C@@H](COC1=CC=CC2=C1CCC(=O)N2)O

InChI

InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)/p+1/t11-/m0/s1