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

Systemtic Name: 5-chloranyl-6-[2-(diethylazaniumyl)ethylamino]pyridine-3-carboxylate Openeye Name: 5-chloro-6-[2-(diethylammonio)ethylamino]pyridine-3-carboxylate CAS Name: 5-chloro-6-[2-(diethylammonio)ethylamino]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-[2-(diethylazaniumyl)ethylamino]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[2-(diethylammonio)ethylamino]nicotinate Formula: C12H18ClN3O2 MolecularWeight: 271.74322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18ClN3O2/c1-3-16(4-2)6-5-14-11-10(13)7-9(8-15-11)12(17)18/h7-8H,3-6H2,1-2H3,(H,14,15)(H,17,18)