3-[3-(dimethylazaniumyl)propoxy]benzoate

Systemtic Name: 3-[3-(dimethylazaniumyl)propoxy]benzoate Openeye Name: 3-[3-(dimethylammonio)propoxy]benzoate CAS Name: 3-[3-(dimethylammonio)propoxy]benzoate IUPAC Name: 3-[3-(dimethylazaniumyl)propoxy]benzoate Traditional Name: 3-[3-(dimethylammonio)propoxy]benzoate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=CC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C12H17NO3/c1-13(2)7-4-8-16-11-6-3-5-10(9-11)12(14)15/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,15)