2-[3-[methyl-(phenylmethyl)azaniumyl]propoxy]benzoate

Systemtic Name: 2-[3-[methyl-(phenylmethyl)azaniumyl]propoxy]benzoate Openeye Name: 2-[3-[benzyl(methyl)ammonio]propoxy]benzoate CAS Name: 2-[3-[methyl-(phenylmethyl)ammonio]propoxy]benzoate IUPAC Name: 2-[3-[benzyl(methyl)azaniumyl]propoxy]benzoate Traditional Name: 2-[3-[benzyl(methyl)ammonio]propoxy]benzoate Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCOC1=CC=CC=C1C(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCOC1=CC=CC=C1C(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C18H21NO3/c1-19(14-15-8-3-2-4-9-15)12-7-13-22-17-11-6-5-10-16(17)18(20)21/h2-6,8-11H,7,12-14H2,1H3,(H,20,21)