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

Systemtic Name: cyclopentyl-methyl-[(2S)-2-oxidanyl-3-[4-(phenylcarbonyl)phenoxy]propyl]azanium Openeye Name: [(2S)-3-(4-benzoylphenoxy)-2-hydroxy-propyl]-cyclopentyl-methyl-ammonium CAS Name: [(2S)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclopentyl-methylammonium IUPAC Name: [(2S)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclopentyl-methylazanium Traditional Name: [(2S)-3-(4-benzoylphenoxy)-2-hydroxy-propyl]-cyclopentyl-methyl-ammonium Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O)C3CCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O)C3CCCC3

InChI

InChI=1S/C22H27NO3/c1-23(19-9-5-6-10-19)15-20(24)16-26-21-13-11-18(12-14-21)22(25)17-7-3-2-4-8-17/h2-4,7-8,11-14,19-20,24H,5-6,9-10,15-16H2,1H3/p+1/t20-/m0/s1