(2,4-dimethoxyphenyl)methyl-[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: (2,4-dimethoxyphenyl)methyl-[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-[(2,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[(2,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-(2,4-dimethoxybenzyl)-methyl-ammonium Formula: C22H30NO6+ MolecularWeight: 404.4767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6/c1-15(24)16-7-9-20(22(10-16)28-5)29-14-18(25)13-23(2)12-17-6-8-19(26-3)11-21(17)27-4/h6-11,18,25H,12-14H2,1-5H3/p+1/t18-/m0/s1