5-chloranyl-6-[2-[di(propan-2-yl)azaniumyl]ethylamino]pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-[2-[di(propan-2-yl)azaniumyl]ethylamino]pyridine-3-carboxylate Openeye Name: 5-chloro-6-[2-(diisopropylammonio)ethylamino]pyridine-3-carboxylate CAS Name: 5-chloro-6-[2-[di(propan-2-yl)ammonio]ethylamino]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-[2-[di(propan-2-yl)azaniumyl]ethylamino]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[2-(diisopropylammonio)ethylamino]nicotinate Formula: C14H22ClN3O2 MolecularWeight: 299.79638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22ClN3O2/c1-9(2)18(10(3)4)6-5-16-13-12(15)7-11(8-17-13)14(19)20/h7-10H,5-6H2,1-4H3,(H,16,17)(H,19,20)