[(2S)-3-(4-ethoxycarbonylphenoxy)-2-oxidanyl-propyl]-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [(2S)-3-(4-ethoxycarbonylphenoxy)-2-oxidanyl-propyl]-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [(2S)-3-(4-ethoxycarbonylphenoxy)-2-hydroxy-propyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2S)-3-(4-ethoxycarbonylphenoxy)-2-hydroxypropyl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2S)-3-(4-ethoxycarbonylphenoxy)-2-hydroxypropyl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [(2S)-3-(4-carbethoxyphenoxy)-2-hydroxy-propyl]-m-anisyl-methyl-ammonium Formula: C21H28NO5+ MolecularWeight: 374.45072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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