4-[3-[ethyl-(phenylmethyl)azaniumyl]propoxy]benzoate

Systemtic Name: 4-[3-[ethyl-(phenylmethyl)azaniumyl]propoxy]benzoate Openeye Name: 4-[3-[benzyl(ethyl)ammonio]propoxy]benzoate CAS Name: 4-[3-[ethyl-(phenylmethyl)ammonio]propoxy]benzoate IUPAC Name: 4-[3-[benzyl(ethyl)azaniumyl]propoxy]benzoate Traditional Name: 4-[3-[benzyl(ethyl)ammonio]propoxy]benzoate Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCOC1=CC=C(C=C1)C(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CCCOC1=CC=C(C=C1)C(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C19H23NO3/c1-2-20(15-16-7-4-3-5-8-16)13-6-14-23-18-11-9-17(10-12-18)19(21)22/h3-5,7-12H,2,6,13-15H2,1H3,(H,21,22)