5-chloranyl-6-[2-(dimethylazaniumyl)ethylamino]pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-[2-(dimethylazaniumyl)ethylamino]pyridine-3-carboxylate Openeye Name: 5-chloro-6-[2-(dimethylammonio)ethylamino]pyridine-3-carboxylate CAS Name: 5-chloro-6-[2-(dimethylammonio)ethylamino]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-[2-(dimethylazaniumyl)ethylamino]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[2-(dimethylammonio)ethylamino]nicotinate Formula: C10H14ClN3O2 MolecularWeight: 243.69006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=C(C=C(C=N1)C(=O)[O-])Cl

Isomeric SMILES

C[NH+](C)CCNC1=C(C=C(C=N1)C(=O)[O-])Cl

InChI

InChI=1S/C10H14ClN3O2/c1-14(2)4-3-12-9-8(11)5-7(6-13-9)10(15)16/h5-6H,3-4H2,1-2H3,(H,12,13)(H,15,16)