3-(azocan-1-ium-1-ylmethyl)benzoate

Systemtic Name: 3-(azocan-1-ium-1-ylmethyl)benzoate Openeye Name: 3-(azocan-1-ium-1-ylmethyl)benzoate CAS Name: 3-(1-azocan-1-iumylmethyl)benzoate IUPAC Name: 3-(azocan-1-ium-1-ylmethyl)benzoate Traditional Name: 3-(azocan-1-ium-1-ylmethyl)benzoate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H21NO2/c17-15(18)14-8-6-7-13(11-14)12-16-9-4-2-1-3-5-10-16/h6-8,11H,1-5,9-10,12H2,(H,17,18)