2-[5-(azaniumylmethyl)-2-methoxy-phenyl]ethanoate

Systemtic Name: 2-[5-(azaniumylmethyl)-2-methoxy-phenyl]ethanoate Openeye Name: 2-[5-(azaniumylmethyl)-2-methoxy-phenyl]acetate CAS Name: 2-[5-(ammoniomethyl)-2-methoxyphenyl]acetate IUPAC Name: 2-[5-(azaniumylmethyl)-2-methoxyphenyl]acetate Traditional Name: 2-[5-(ammoniomethyl)-2-methoxy-phenyl]acetate Formula: C10H13NO3 MolecularWeight: 195.21512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH3+])CC(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH3+])CC(=O)[O-]

InChI

InChI=1S/C10H13NO3/c1-14-9-3-2-7(6-11)4-8(9)5-10(12)13/h2-4H,5-6,11H2,1H3,(H,12,13)