6-methyl-4-oxidanylidene-3-[(S)-piperidin-1-ium-1-yl(pyridin-2-yl)methyl]-1-(pyridin-2-ylmethyl)pyridin-2-olate

Systemtic Name: 6-methyl-4-oxidanylidene-3-[(S)-piperidin-1-ium-1-yl(pyridin-2-yl)methyl]-1-(pyridin-2-ylmethyl)pyridin-2-olate Openeye Name: 6-methyl-4-oxo-3-[(S)-piperidin-1-ium-1-yl(2-pyridyl)methyl]-1-(2-pyridylmethyl)pyridin-2-olate CAS Name: 6-methyl-4-oxo-3-[(S)-1-piperidin-1-iumyl(2-pyridinyl)methyl]-1-(2-pyridinylmethyl)-2-pyridinolate IUPAC Name: 6-methyl-4-oxo-3-[(S)-piperidin-1-ium-1-yl(pyridin-2-yl)methyl]-1-(pyridin-2-ylmethyl)pyridin-2-olate Traditional Name: 4-keto-6-methyl-3-[(S)-piperidin-1-ium-1-yl(2-pyridyl)methyl]-1-(2-pyridylmethyl)pyridin-2-olate Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC=CC=N2)[O-])C(C3=CC=CC=N3)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=CC=N2)[O-])[C@@H](C3=CC=CC=N3)[NH+]4CCCCC4

InChI

InChI=1S/C23H26N4O2/c1-17-15-20(28)21(23(29)27(17)16-18-9-3-5-11-24-18)22(19-10-4-6-12-25-19)26-13-7-2-8-14-26/h3-6,9-12,15,22,29H,2,7-8,13-14,16H2,1H3/t22-/m1/s1