3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(3-methoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-2-olate

Systemtic Name: 3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(3-methoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-2-olate Openeye Name: 3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(3-methoxyphenyl)methyl]-6-methyl-4-oxo-1-(2-pyridylmethyl)pyridin-2-olate CAS Name: 3-[(R)-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-(3-methoxyphenyl)methyl]-6-methyl-4-oxo-1-(2-pyridinylmethyl)-2-pyridinolate IUPAC Name: 3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(3-methoxyphenyl)methyl]-6-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridin-2-olate Traditional Name: 3-[(R)-(4-carbethoxypiperidin-1-ium-1-yl)-(3-methoxyphenyl)methyl]-4-keto-6-methyl-1-(2-pyridylmethyl)pyridin-2-olate Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C2=CC(=CC=C2)OC)C3=C(N(C(=CC3=O)C)CC4=CC=CC=N4)[O-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C2=CC(=CC=C2)OC)C3=C(N(C(=CC3=O)C)CC4=CC=CC=N4)[O-]

InChI

InChI=1S/C28H33N3O5/c1-4-36-28(34)20-11-14-30(15-12-20)26(21-8-7-10-23(17-21)35-3)25-24(32)16-19(2)31(27(25)33)18-22-9-5-6-13-29-22/h5-10,13,16-17,20,26,33H,4,11-12,14-15,18H2,1-3H3/t26-/m1/s1