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

Systemtic Name: [(2S)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-phenethyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-phenethylazanium Traditional Name: benzyl-[(2S)-2-hydroxy-3-(4-propionylphenoxy)propyl]-phenethyl-ammonium Formula: C27H32NO3+ MolecularWeight: 418.54788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@H](C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C27H31NO3/c1-2-27(30)24-13-15-26(16-14-24)31-21-25(29)20-28(19-23-11-7-4-8-12-23)18-17-22-9-5-3-6-10-22/h3-16,25,29H,2,17-21H2,1H3/p+1/t25-/m0/s1