2-[methyl-[2-oxidanylidene-2-(4-propoxyphenyl)ethyl]azaniumyl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-3-8-19-12-6-4-11(5-7-12)13(16)9-15(2)10-14(17)18/h4-7H,3,8-10H2,1-2H3,(H,17,18)