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

Systemtic Name: 3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-phenyl-methyl]-6-methyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-2-olate Openeye Name: 3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-phenyl-methyl]-6-methyl-4-oxo-1-(2-pyridylmethyl)pyridin-2-olate CAS Name: 3-[(R)-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-phenylmethyl]-6-methyl-4-oxo-1-(2-pyridinylmethyl)-2-pyridinolate IUPAC Name: 3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-phenylmethyl]-6-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridin-2-olate Traditional Name: 3-[(R)-(4-carbethoxypiperidin-1-ium-1-yl)-phenyl-methyl]-4-keto-6-methyl-1-(2-pyridylmethyl)pyridin-2-olate Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H31N3O4/c1-3-34-27(33)21-12-15-29(16-13-21)25(20-9-5-4-6-10-20)24-23(31)17-19(2)30(26(24)32)18-22-11-7-8-14-28-22/h4-11,14,17,21,25,32H,3,12-13,15-16,18H2,1-2H3/t25-/m1/s1