4-[(3-ethoxypropylazaniumyl)methyl]benzoate

Systemtic Name: 4-[(3-ethoxypropylazaniumyl)methyl]benzoate Openeye Name: 4-[(3-ethoxypropylammonio)methyl]benzoate CAS Name: 4-[(3-ethoxypropylammonio)methyl]benzoate IUPAC Name: 4-[(3-ethoxypropylazaniumyl)methyl]benzoate Traditional Name: 4-[(3-ethoxypropylammonio)methyl]benzoate Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-2-17-9-3-8-14-10-11-4-6-12(7-5-11)13(15)16/h4-7,14H,2-3,8-10H2,1H3,(H,15,16)