[(2S)-3-(4-acetamidophenoxy)-2-oxidanyl-propyl]-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: [(2S)-3-(4-acetamidophenoxy)-2-oxidanyl-propyl]-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: [(2S)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: [(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [(2S)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]-(1,1,3,3-tetramethylbutyl)ammonium Formula: C19H33N2O3+ MolecularWeight: 337.47692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O3/c1-14(22)21-15-7-9-17(10-8-15)24-12-16(23)11-20-19(5,6)13-18(2,3)4/h7-10,16,20,23H,11-13H2,1-6H3,(H,21,22)/p+1/t16-/m0/s1