(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-propan-2-yl-azanium ethanoate

Systemtic Name: (3-naphthalen-1-yloxy-2-oxidanyl-propyl)-propan-2-yl-azanium ethanoate Openeye Name: [2-hydroxy-3-(1-naphthyloxy)propyl]-isopropyl-ammonium acetate CAS Name: [2-hydroxy-3-(1-naphthalenyloxy)propyl]-propan-2-ylammonium acetate IUPAC Name: (2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium acetate Traditional Name: [2-hydroxy-3-(1-naphthoxy)propyl]-isopropyl-ammonium acetate Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(COC1=CC=CC2=CC=CC=C21)O.CC(=O)[O-]

Isomeric SMILES

CC(C)[NH2+]CC(COC1=CC=CC2=CC=CC=C21)O.CC(=O)[O-]

InChI

InChI=1S/C16H21NO2.C2H4O2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;1-2(3)4/h3-9,12,14,17-18H,10-11H2,1-2H3;1H3,(H,3,4)