2-[di(propan-2-yl)amino]ethyl-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 2-[di(propan-2-yl)amino]ethyl-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[2-(diisopropylamino)ethyl]ammonium CAS Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[2-[di(propan-2-yl)amino]ethyl]ammonium IUPAC Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[2-[di(propan-2-yl)amino]ethyl]azanium Traditional Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[2-(diisopropylamino)ethyl]ammonium Formula: C19H33N2O3+ MolecularWeight: 337.47692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC[NH2+]CC(COC1=CC=C(C=C1)C(=O)C)O)C(C)C

Isomeric SMILES

CC(C)N(CC[NH2+]C[C@@H](COC1=CC=C(C=C1)C(=O)C)O)C(C)C

InChI

InChI=1S/C19H32N2O3/c1-14(2)21(15(3)4)11-10-20-12-18(23)13-24-19-8-6-17(7-9-19)16(5)22/h6-9,14-15,18,20,23H,10-13H2,1-5H3/p+1/t18-/m0/s1