5-chloranyl-6-[[(2S)-5-(diethylazaniumyl)pentan-2-yl]amino]pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-[[(2S)-5-(diethylazaniumyl)pentan-2-yl]amino]pyridine-3-carboxylate Openeye Name: 5-chloro-6-[[(1S)-4-(diethylammonio)-1-methyl-butyl]amino]pyridine-3-carboxylate CAS Name: 5-chloro-6-[[(2S)-5-(diethylammonio)pentan-2-yl]amino]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-[[(2S)-5-(diethylazaniumyl)pentan-2-yl]amino]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[[(1S)-4-(diethylammonio)-1-methyl-butyl]amino]nicotinate Formula: C15H24ClN3O2 MolecularWeight: 313.82296

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC1=C(C=C(C=N1)C(=O)[O-])Cl

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC1=C(C=C(C=N1)C(=O)[O-])Cl

InChI

InChI=1S/C15H24ClN3O2/c1-4-19(5-2)8-6-7-11(3)18-14-13(16)9-12(10-17-14)15(20)21/h9-11H,4-8H2,1-3H3,(H,17,18)(H,20,21)/t11-/m0/s1