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

Systemtic Name: [(2S)-3-ethoxy-2-[(4-methoxy-3-oxidanyl-phenyl)methyl]-3-oxidanylidene-propyl]azanium Openeye Name: [(2S)-3-ethoxy-2-[(3-hydroxy-4-methoxy-phenyl)methyl]-3-oxo-propyl]ammonium CAS Name: [(2S)-3-ethoxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxopropyl]ammonium IUPAC Name: [(2S)-3-ethoxy-2-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxopropyl]azanium Traditional Name: [(2S)-3-ethoxy-2-(3-hydroxy-4-methoxy-benzyl)-3-keto-propyl]ammonium Formula: C13H20NO4+ MolecularWeight: 254.3022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1)OC)O)C[NH3+]

Isomeric SMILES

CCOC(=O)[C@@H](CC1=CC(=C(C=C1)OC)O)C[NH3+]

InChI

InChI=1S/C13H19NO4/c1-3-18-13(16)10(8-14)6-9-4-5-12(17-2)11(15)7-9/h4-5,7,10,15H,3,6,8,14H2,1-2H3/p+1/t10-/m0/s1