4-[(hexylazaniumyl)methyl]benzoate

Systemtic Name: 4-[(hexylazaniumyl)methyl]benzoate Openeye Name: 4-[(hexylammonio)methyl]benzoate CAS Name: 4-[(hexylammonio)methyl]benzoate IUPAC Name: 4-[(hexylazaniumyl)methyl]benzoate Traditional Name: 4-[(hexylammonio)methyl]benzoate Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCC[NH2+]CC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C14H21NO2/c1-2-3-4-5-10-15-11-12-6-8-13(9-7-12)14(16)17/h6-9,15H,2-5,10-11H2,1H3,(H,16,17)