[3-[[(2S)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]azaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[[(2S)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]azaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[(2S)-3-(3-acetylphenoxy)-2-hydroxy-propyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[(2S)-3-(3-acetylphenoxy)-2-hydroxypropyl]ammonio]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[(2S)-3-(3-acetylphenoxy)-2-hydroxypropyl]azaniumyl]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[[(2S)-3-(3-acetylphenoxy)-2-hydroxy-propyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C18H32N2O3+2 MolecularWeight: 324.45828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(C[NH2+]CC(C)(C)C[NH+](C)C)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC[C@H](C[NH2+]CC(C)(C)C[NH+](C)C)O

InChI

InChI=1S/C18H30N2O3/c1-14(21)15-7-6-8-17(9-15)23-11-16(22)10-19-12-18(2,3)13-20(4)5/h6-9,16,19,22H,10-13H2,1-5H3/p+2/t16-/m0/s1