3-[4-(azaniumylmethyl)phenoxy]propanoate

Systemtic Name: 3-[4-(azaniumylmethyl)phenoxy]propanoate Openeye Name: 3-[4-(azaniumylmethyl)phenoxy]propanoate CAS Name: 3-[4-(ammoniomethyl)phenoxy]propanoate IUPAC Name: 3-[4-(azaniumylmethyl)phenoxy]propanoate Traditional Name: 3-[4-(ammoniomethyl)phenoxy]propionate Formula: C10H13NO3 MolecularWeight: 195.21512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH3+])OCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH3+])OCCC(=O)[O-]

InChI

InChI=1S/C10H13NO3/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13/h1-4H,5-7,11H2,(H,12,13)