2-(azepan-1-ium-1-ylmethoxy)benzoate

Systemtic Name: 2-(azepan-1-ium-1-ylmethoxy)benzoate Openeye Name: 2-(azepan-1-ium-1-ylmethoxy)benzoate CAS Name: 2-(1-azepan-1-iumylmethoxy)benzoate IUPAC Name: 2-(azepan-1-ium-1-ylmethoxy)benzoate Traditional Name: 2-(azepan-1-ium-1-ylmethoxy)benzoate Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)COC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)COC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C14H19NO3/c16-14(17)12-7-3-4-8-13(12)18-11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2,(H,16,17)