(2,4-dimethoxyphenyl)methyl-[(2S)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: (2,4-dimethoxyphenyl)methyl-[(2S)-3-(3-ethanoylphenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(3-acetylphenoxy)-2-hydroxy-propyl]-[(2,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2S)-3-(3-acetylphenoxy)-2-hydroxypropyl]-[(2,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: [(2S)-3-(3-acetylphenoxy)-2-hydroxypropyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [(2S)-3-(3-acetylphenoxy)-2-hydroxy-propyl]-(2,4-dimethoxybenzyl)-methyl-ammonium Formula: C21H28NO5+ MolecularWeight: 374.45072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5/c1-15(23)16-6-5-7-20(10-16)27-14-18(24)13-22(2)12-17-8-9-19(25-3)11-21(17)26-4/h5-11,18,24H,12-14H2,1-4H3/p+1/t18-/m0/s1