5-(azepan-1-ium-1-ylmethyl)furan-2-carboxylate

Systemtic Name: 5-(azepan-1-ium-1-ylmethyl)furan-2-carboxylate Openeye Name: 5-(azepan-1-ium-1-ylmethyl)furan-2-carboxylate CAS Name: 5-(1-azepan-1-iumylmethyl)-2-furancarboxylate IUPAC Name: 5-(azepan-1-ium-1-ylmethyl)furan-2-carboxylate Traditional Name: 5-(azepan-1-ium-1-ylmethyl)-2-furoate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C12H17NO3/c14-12(15)11-6-5-10(16-11)9-13-7-3-1-2-4-8-13/h5-6H,1-4,7-9H2,(H,14,15)