2-[[3-oxidanylidene-3-(4-propoxyphenyl)propyl]azaniumyl]ethanoate

Systemtic Name: 2-[[3-oxidanylidene-3-(4-propoxyphenyl)propyl]azaniumyl]ethanoate Openeye Name: 2-[[3-oxo-3-(4-propoxyphenyl)propyl]ammonio]acetate CAS Name: 2-[[3-oxo-3-(4-propoxyphenyl)propyl]ammonio]acetate IUPAC Name: 2-[[3-oxo-3-(4-propoxyphenyl)propyl]azaniumyl]acetate Traditional Name: 2-[[3-keto-3-(4-propoxyphenyl)propyl]ammonio]acetate Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CC[NH2+]CC(=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CC[NH2+]CC(=O)[O-]

InChI

InChI=1S/C14H19NO4/c1-2-9-19-12-5-3-11(4-6-12)13(16)7-8-15-10-14(17)18/h3-6,15H,2,7-10H2,1H3,(H,17,18)