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

Systemtic Name: 5-chloranyl-6-[3-(dimethylazaniumyl)propylamino]pyridine-3-carboxylate Openeye Name: 5-chloro-6-[3-(dimethylammonio)propylamino]pyridine-3-carboxylate CAS Name: 5-chloro-6-[3-(dimethylammonio)propylamino]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-[3-(dimethylazaniumyl)propylamino]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[3-(dimethylammonio)propylamino]nicotinate Formula: C11H16ClN3O2 MolecularWeight: 257.71664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C(C=C(C=N1)C(=O)[O-])Cl

Isomeric SMILES

C[NH+](C)CCCNC1=C(C=C(C=N1)C(=O)[O-])Cl

InChI

InChI=1S/C11H16ClN3O2/c1-15(2)5-3-4-13-10-9(12)6-8(7-14-10)11(16)17/h6-7H,3-5H2,1-2H3,(H,13,14)(H,16,17)