2-[3-(dimethylazaniumyl)propoxy]-4-methoxy-benzoate

Systemtic Name: 2-[3-(dimethylazaniumyl)propoxy]-4-methoxy-benzoate Openeye Name: 2-[3-(dimethylammonio)propoxy]-4-methoxy-benzoate CAS Name: 2-[3-(dimethylammonio)propoxy]-4-methoxybenzoate IUPAC Name: 2-[3-(dimethylazaniumyl)propoxy]-4-methoxybenzoate Traditional Name: 2-[3-(dimethylammonio)propoxy]-4-methoxy-benzoate Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-14(2)7-4-8-18-12-9-10(17-3)5-6-11(12)13(15)16/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)