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

Systemtic Name: 3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(3-methoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1-(pyridin-3-ylmethyl)pyridin-2-olate Openeye Name: 3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(3-methoxyphenyl)methyl]-6-methyl-4-oxo-1-(3-pyridylmethyl)pyridin-2-olate CAS Name: 3-[(R)-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-(3-methoxyphenyl)methyl]-6-methyl-4-oxo-1-(3-pyridinylmethyl)-2-pyridinolate IUPAC Name: 3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(3-methoxyphenyl)methyl]-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridin-2-olate Traditional Name: 3-[(R)-(4-carbethoxypiperidin-1-ium-1-yl)-(3-methoxyphenyl)methyl]-4-keto-6-methyl-1-(3-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=CN=CC=C4)[O-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C2=CC(=CC=C2)OC)C3=C(N(C(=CC3=O)C)CC4=CN=CC=C4)[O-]

InChI

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