butyl-[(2R)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-ethyl-azanium

Systemtic Name: butyl-[(2R)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-ethyl-azanium Openeye Name: [(2R)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-butyl-ethyl-ammonium CAS Name: [(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-butyl-ethylammonium IUPAC Name: [(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-butyl-ethylazanium Traditional Name: [(2R)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-butyl-ethyl-ammonium Formula: C18H30NO4+ MolecularWeight: 324.4351

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)CC(COC1=C(C=C(C=C1)C(=O)C)OC)O

Isomeric SMILES

CCCC[NH+](CC)C[C@H](COC1=C(C=C(C=C1)C(=O)C)OC)O

InChI

InChI=1S/C18H29NO4/c1-5-7-10-19(6-2)12-16(21)13-23-17-9-8-15(14(3)20)11-18(17)22-4/h8-9,11,16,21H,5-7,10,12-13H2,1-4H3/p+1/t16-/m1/s1