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

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)benzoate Openeye Name: 2-(azepan-1-ium-1-ylmethyl)benzoate CAS Name: 2-(1-azepan-1-iumylmethyl)benzoate IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)benzoate Traditional Name: 2-(azepan-1-ium-1-ylmethyl)benzoate Formula: C14H19NO2 MolecularWeight: 233.30616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C14H19NO2/c16-14(17)13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2,(H,16,17)