cyclooctyl-[(2S)-2-oxidanyl-3-[4-(phenylcarbonyl)phenoxy]propyl]azanium

Systemtic Name: cyclooctyl-[(2S)-2-oxidanyl-3-[4-(phenylcarbonyl)phenoxy]propyl]azanium Openeye Name: [(2S)-3-(4-benzoylphenoxy)-2-hydroxy-propyl]-cyclooctyl-ammonium CAS Name: [(2S)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylammonium IUPAC Name: [(2S)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium Traditional Name: [(2S)-3-(4-benzoylphenoxy)-2-hydroxy-propyl]-cyclooctyl-ammonium Formula: C24H32NO3+ MolecularWeight: 382.51578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1CCCC(CCC1)[NH2+]C[C@@H](COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C24H31NO3/c26-22(17-25-21-11-7-2-1-3-8-12-21)18-28-23-15-13-20(14-16-23)24(27)19-9-5-4-6-10-19/h4-6,9-10,13-16,21-22,25-26H,1-3,7-8,11-12,17-18H2/p+1/t22-/m0/s1