[(2R)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-(furan-2-ylmethyl)-(phenylmethyl)azanium

Systemtic Name: [(2R)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-(furan-2-ylmethyl)-(phenylmethyl)azanium Openeye Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-benzyl-(2-furylmethyl)ammonium CAS Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxypropyl]-(2-furanylmethyl)-(phenylmethyl)ammonium IUPAC Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxypropyl]-benzyl-(furan-2-ylmethyl)azanium Traditional Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-benzyl-(2-furfuryl)ammonium Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(C[NH+](CC2=CC=CC=C2)CC3=CC=CO3)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@@H](C[NH+](CC2=CC=CC=C2)CC3=CC=CO3)O

InChI

InChI=1S/C23H25NO4/c1-18(25)20-9-11-22(12-10-20)28-17-21(26)15-24(16-23-8-5-13-27-23)14-19-6-3-2-4-7-19/h2-13,21,26H,14-17H2,1H3/p+1/t21-/m1/s1