3-[3-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]propanoate

Systemtic Name: 3-[3-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]propanoate Openeye Name: 3-[3-[2-(dimethylammonio)ethylcarbamoyl]phenoxy]propanoate CAS Name: 3-[3-[[2-(dimethylammonio)ethylamino]-oxomethyl]phenoxy]propanoate IUPAC Name: 3-[3-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]propanoate Traditional Name: 3-[3-[2-(dimethylammonio)ethylcarbamoyl]phenoxy]propionate Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4/c1-16(2)8-7-15-14(19)11-4-3-5-12(10-11)20-9-6-13(17)18/h3-5,10H,6-9H2,1-2H3,(H,15,19)(H,17,18)