[(5S)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]azanium; 2-[(3-chloranyl-2-methyl-phenyl)amino]pyridine-3-carboxylate

Systemtic Name: [(5S)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]azanium; 2-[(3-chloranyl-2-methyl-phenyl)amino]pyridine-3-carboxylate Openeye Name: [(5S)-5-amino-6-hydroxy-6-oxo-hexyl]ammonium; 2-(3-chloro-2-methyl-anilino)pyridine-3-carboxylate CAS Name: [(5S)-5-amino-6-hydroxy-6-oxohexyl]ammonium; 2-(3-chloro-2-methylanilino)-3-pyridinecarboxylate IUPAC Name: [(5S)-5-amino-6-hydroxy-6-oxohexyl]azanium; 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate Traditional Name: [(5S)-5-amino-6-hydroxy-6-keto-hexyl]ammonium; 2-(3-chloro-2-methyl-anilino)nicotinate Formula: C19H25ClN4O4 MolecularWeight: 408.8792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)[O-].C(CC[NH3+])CC(C(=O)O)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)[O-].C(CC[NH3+])C[C@@H](C(=O)O)N

InChI

InChI=1S/C13H11ClN2O2.C6H14N2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12;7-4-2-1-3-5(8)6(9)10/h2-7H,1H3,(H,15,16)(H,17,18);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1