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

Systemtic Name: 1-(2-methoxyethyl)-6-methyl-4-oxidanylidene-3-[(S)-piperidin-1-ium-1-yl(pyridin-2-yl)methyl]pyridin-2-olate Openeye Name: 1-(2-methoxyethyl)-6-methyl-4-oxo-3-[(S)-piperidin-1-ium-1-yl(2-pyridyl)methyl]pyridin-2-olate CAS Name: 1-(2-methoxyethyl)-6-methyl-4-oxo-3-[(S)-1-piperidin-1-iumyl(2-pyridinyl)methyl]-2-pyridinolate IUPAC Name: 1-(2-methoxyethyl)-6-methyl-4-oxo-3-[(S)-piperidin-1-ium-1-yl(pyridin-2-yl)methyl]pyridin-2-olate Traditional Name: 4-keto-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-ium-1-yl(2-pyridyl)methyl]pyridin-2-olate Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCOC)[O-])C(C2=CC=CC=N2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCOC)[O-])[C@@H](C2=CC=CC=N2)[NH+]3CCCCC3

InChI

InChI=1S/C20H27N3O3/c1-15-14-17(24)18(20(25)23(15)12-13-26-2)19(16-8-4-5-9-21-16)22-10-6-3-7-11-22/h4-5,8-9,14,19,25H,3,6-7,10-13H2,1-2H3/t19-/m1/s1