3-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]propanoate

Systemtic Name: 3-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]propanoate Openeye Name: 3-[4-[2-(dimethylammonio)ethoxy]phenyl]propanoate CAS Name: 3-[4-[2-(dimethylammonio)ethoxy]phenyl]propanoate IUPAC Name: 3-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]propanoate Traditional Name: 3-[4-[2-(dimethylammonio)ethoxy]phenyl]propionate Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=C(C=C1)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCOC1=CC=C(C=C1)CCC(=O)[O-]

InChI

InChI=1S/C13H19NO3/c1-14(2)9-10-17-12-6-3-11(4-7-12)5-8-13(15)16/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,16)