[(2R)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]-[(4-ethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [(2R)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: [(2R)-3-(3-acetylphenoxy)-2-hydroxy-propyl]-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2R)-3-(3-acetylphenoxy)-2-hydroxypropyl]-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-3-(3-acetylphenoxy)-2-hydroxypropyl]-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: [(2R)-3-(3-acetylphenoxy)-2-hydroxy-propyl]-(4-ethoxybenzyl)-methyl-ammonium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CC(COC2=CC=CC(=C2)C(=O)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)C[C@H](COC2=CC=CC(=C2)C(=O)C)O

InChI

InChI=1S/C21H27NO4/c1-4-25-20-10-8-17(9-11-20)13-22(3)14-19(24)15-26-21-7-5-6-18(12-21)16(2)23/h5-12,19,24H,4,13-15H2,1-3H3/p+1/t19-/m1/s1