2,4-bis(chloranyl)-6-[(pyridin-3-ylmethylazaniumyl)methyl]phenolate

Systemtic Name: 2,4-bis(chloranyl)-6-[(pyridin-3-ylmethylazaniumyl)methyl]phenolate Openeye Name: 2,4-dichloro-6-[(3-pyridylmethylammonio)methyl]phenolate CAS Name: 2,4-dichloro-6-[(3-pyridinylmethylammonio)methyl]phenolate IUPAC Name: 2,4-dichloro-6-[(pyridin-3-ylmethylazaniumyl)methyl]phenolate Traditional Name: 2,4-dichloro-6-[(3-pyridylmethylammonio)methyl]phenolate Formula: C13H12Cl2N2O MolecularWeight: 283.15318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12Cl2N2O/c14-11-4-10(13(18)12(15)5-11)8-17-7-9-2-1-3-16-6-9/h1-6,17-18H,7-8H2