4-[[methyl(phenethyl)azaniumyl]methyl]benzoate

Systemtic Name: 4-[[methyl(phenethyl)azaniumyl]methyl]benzoate Openeye Name: 4-[[methyl(phenethyl)ammonio]methyl]benzoate CAS Name: 4-[[methyl(phenethyl)ammonio]methyl]benzoate IUPAC Name: 4-[[methyl(phenethyl)azaniumyl]methyl]benzoate Traditional Name: 4-[[methyl(phenethyl)ammonio]methyl]benzoate Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C17H19NO2/c1-18(12-11-14-5-3-2-4-6-14)13-15-7-9-16(10-8-15)17(19)20/h2-10H,11-13H2,1H3,(H,19,20)