2-[(4-cyanophenyl)methylazaniumyl]ethanoate

Systemtic Name: 2-[(4-cyanophenyl)methylazaniumyl]ethanoate Openeye Name: 2-[(4-cyanophenyl)methylammonio]acetate CAS Name: 2-[(4-cyanophenyl)methylammonio]acetate IUPAC Name: 2-[(4-cyanophenyl)methylazaniumyl]acetate Traditional Name: 2-[(4-cyanobenzyl)ammonio]acetate Formula: C10H10N2O2 MolecularWeight: 190.1986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O2/c11-5-8-1-3-9(4-2-8)6-12-7-10(13)14/h1-4,12H,6-7H2,(H,13,14)