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

Systemtic Name: (2-methoxyphenyl)methyl-methyl-[(2S)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-[(2-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-[(2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-[(2-methoxyphenyl)methyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(4-propionylphenoxy)propyl]-methyl-o-anisyl-ammonium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(C[NH+](C)CC2=CC=CC=C2OC)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@H](C[NH+](C)CC2=CC=CC=C2OC)O

InChI

InChI=1S/C21H27NO4/c1-4-20(24)16-9-11-19(12-10-16)26-15-18(23)14-22(2)13-17-7-5-6-8-21(17)25-3/h5-12,18,23H,4,13-15H2,1-3H3/p+1/t18-/m0/s1