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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(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-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylammonium IUPAC Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium Traditional Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-homoveratryl-methyl-ammonium Formula: C23H32NO6+ MolecularWeight: 418.50328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(C[NH+](C)CCC2=CC(=C(C=C2)OC)OC)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@H](C[NH+](C)CCC2=CC(=C(C=C2)OC)OC)O)OC

InChI

InChI=1S/C23H31NO6/c1-16(25)18-7-9-21(23(13-18)29-5)30-15-19(26)14-24(2)11-10-17-6-8-20(27-3)22(12-17)28-4/h6-9,12-13,19,26H,10-11,14-15H2,1-5H3/p+1/t19-/m0/s1