[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: [(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: [(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [(2R)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: [(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [(2R)-2-hydroxy-3-(4-propionylphenoxy)propyl]-(1,1,3,3-tetramethylbutyl)ammonium Formula: C20H34NO3+ MolecularWeight: 336.48886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO3/c1-7-18(23)15-8-10-17(11-9-15)24-13-16(22)12-21-20(5,6)14-19(2,3)4/h8-11,16,21-22H,7,12-14H2,1-6H3/p+1/t16-/m1/s1