(2S)-4-[(4-dimethylaminophenyl)amino]-4-oxidanylidene-2-(pyridin-2-ylmethylazaniumyl)butanoate

Systemtic Name: (2S)-4-[(4-dimethylaminophenyl)amino]-4-oxidanylidene-2-(pyridin-2-ylmethylazaniumyl)butanoate Openeye Name: (2S)-4-[4-(dimethylamino)anilino]-4-oxo-2-(2-pyridylmethylammonio)butanoate CAS Name: (2S)-4-[4-(dimethylamino)anilino]-4-oxo-2-(2-pyridinylmethylammonio)butanoate IUPAC Name: (2S)-4-[4-(dimethylamino)anilino]-4-oxo-2-(pyridin-2-ylmethylazaniumyl)butanoate Traditional Name: (2S)-4-[4-(dimethylamino)anilino]-4-keto-2-(2-pyridylmethylammonio)butyrate Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CC=N2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)C[C@@H](C(=O)[O-])[NH2+]CC2=CC=CC=N2

InChI

InChI=1S/C18H22N4O3/c1-22(2)15-8-6-13(7-9-15)21-17(23)11-16(18(24)25)20-12-14-5-3-4-10-19-14/h3-10,16,20H,11-12H2,1-2H3,(H,21,23)(H,24,25)/t16-/m0/s1