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

Systemtic Name: 1-adamantyl-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-(1-adamantyl)ammonium CAS Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-(1-adamantyl)ammonium IUPAC Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-(1-adamantyl)azanium Traditional Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-(1-adamantyl)ammonium Formula: C21H30NO3+ MolecularWeight: 344.4678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(C[NH2+]C23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@H](C[NH2+]C23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C21H29NO3/c1-14(23)18-2-4-20(5-3-18)25-13-19(24)12-22-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17,19,22,24H,6-13H2,1H3/p+1/t15?,16?,17?,19-,21?/m0/s1