3-[(4-cyanophenyl)methylazaniumyl]propanoate

Systemtic Name: 3-[(4-cyanophenyl)methylazaniumyl]propanoate Openeye Name: 3-[(4-cyanophenyl)methylammonio]propanoate CAS Name: 3-[(4-cyanophenyl)methylammonio]propanoate IUPAC Name: 3-[(4-cyanophenyl)methylazaniumyl]propanoate Traditional Name: 3-[(4-cyanobenzyl)ammonio]propionate Formula: C11H12N2O2 MolecularWeight: 204.22518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CCC(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CCC(=O)[O-])C#N

InChI

InChI=1S/C11H12N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-6,8H2,(H,14,15)