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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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