4-[(phenethylazaniumyl)methyl]benzoate

Systemtic Name: 4-[(phenethylazaniumyl)methyl]benzoate Openeye Name: 4-[(phenethylammonio)methyl]benzoate CAS Name: 4-[(phenethylammonio)methyl]benzoate IUPAC Name: 4-[(phenethylazaniumyl)methyl]benzoate Traditional Name: 4-[(phenethylammonio)methyl]benzoate Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H17NO2/c18-16(19)15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h1-9,17H,10-12H2,(H,18,19)