tert-butyl-[(2R)-3-[4-(diethylcarbamoylamino)-2-ethanoyl-phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: tert-butyl-[(2R)-3-[4-(diethylcarbamoylamino)-2-ethanoyl-phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-3-[2-acetyl-4-(diethylcarbamoylamino)phenoxy]-2-hydroxy-propyl]-tert-butyl-ammonium CAS Name: [(2R)-3-[2-acetyl-4-[[diethylamino(oxo)methyl]amino]phenoxy]-2-hydroxypropyl]-tert-butylammonium IUPAC Name: [(2R)-3-[2-acetyl-4-(diethylcarbamoylamino)phenoxy]-2-hydroxypropyl]-tert-butylazanium Traditional Name: [(2R)-3-[2-acetyl-4-(diethylcarbamoylamino)phenoxy]-2-hydroxy-propyl]-tert-butyl-ammonium Formula: C20H34N3O4+ MolecularWeight: 380.50166

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(C[NH2+]C(C)(C)C)O)C(=O)C

Isomeric SMILES

CCN(CC)C(=O)NC1=CC(=C(C=C1)OC[C@@H](C[NH2+]C(C)(C)C)O)C(=O)C

InChI

InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)/p+1/t16-/m1/s1