1-adamantyl-[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 1-adamantyl-[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-(1-adamantyl)ammonium CAS Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-(1-adamantyl)ammonium IUPAC Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-(1-adamantyl)azanium Traditional Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-(1-adamantyl)ammonium Formula: C22H32NO4+ MolecularWeight: 374.49378

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4/c1-14(24)18-3-4-20(21(8-18)26-2)27-13-19(25)12-23-22-9-15-5-16(10-22)7-17(6-15)11-22/h3-4,8,15-17,19,23,25H,5-7,9-13H2,1-2H3/p+1/t15?,16?,17?,19-,22?/m0/s1