ethyl-[(2S)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[(2S)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]ammonium CAS Name: ethyl-[(2S)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]azanium Traditional Name: benzyl-ethyl-[(2S)-2-hydroxy-3-(4-propionylphenoxy)propyl]ammonium Formula: C21H28NO3+ MolecularWeight: 342.45192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(C[NH+](CC)CC2=CC=CC=C2)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@H](C[NH+](CC)CC2=CC=CC=C2)O

InChI

InChI=1S/C21H27NO3/c1-3-21(24)18-10-12-20(13-11-18)25-16-19(23)15-22(4-2)14-17-8-6-5-7-9-17/h5-13,19,23H,3-4,14-16H2,1-2H3/p+1/t19-/m0/s1