4-[[(2-ethoxyphenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(2-ethoxyphenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(2-ethoxyphenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(2-ethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(2-ethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(2-ethoxybenzyl)ammonio]methyl]benzoate Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C17H19NO3/c1-2-21-16-6-4-3-5-15(16)12-18-11-13-7-9-14(10-8-13)17(19)20/h3-10,18H,2,11-12H2,1H3,(H,19,20)