[(2S)-3-ethoxy-2-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-3-oxidanylidene-propyl]azanium

Systemtic Name: [(2S)-3-ethoxy-2-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-3-oxidanylidene-propyl]azanium Openeye Name: [(2S)-3-ethoxy-2-[(3-ethoxy-4-hydroxy-phenyl)methyl]-3-oxo-propyl]ammonium CAS Name: [(2S)-3-ethoxy-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3-oxopropyl]ammonium IUPAC Name: [(2S)-3-ethoxy-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3-oxopropyl]azanium Traditional Name: [(2S)-3-ethoxy-2-(3-ethoxy-4-hydroxy-benzyl)-3-keto-propyl]ammonium Formula: C14H22NO4+ MolecularWeight: 268.32878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(C[NH3+])C(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[C@@H](C[NH3+])C(=O)OCC)O

InChI

InChI=1S/C14H21NO4/c1-3-18-13-8-10(5-6-12(13)16)7-11(9-15)14(17)19-4-2/h5-6,8,11,16H,3-4,7,9,15H2,1-2H3/p+1/t11-/m0/s1