[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-[(1S)-1-pyridin-2-ylethyl]azanium

Systemtic Name: [(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-[(1S)-1-pyridin-2-ylethyl]azanium Openeye Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[(1S)-1-(2-pyridyl)ethyl]ammonium CAS Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[(1S)-1-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[(1S)-1-pyridin-2-ylethyl]azanium Traditional Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[(1S)-1-(2-pyridyl)ethyl]ammonium Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)[NH2+]CC(COC2=CC=C(C=C2)C(=O)C)O

Isomeric SMILES

C[C@@H](C1=CC=CC=N1)[NH2+]C[C@@H](COC2=CC=C(C=C2)C(=O)C)O

InChI

InChI=1S/C18H22N2O3/c1-13(18-5-3-4-10-19-18)20-11-16(22)12-23-17-8-6-15(7-9-17)14(2)21/h3-10,13,16,20,22H,11-12H2,1-2H3/p+1/t13-,16-/m0/s1