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

Systemtic Name: 3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(4-methoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1-(phenylmethyl)pyridin-2-olate Openeye Name: 1-benzyl-3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(4-methoxyphenyl)methyl]-6-methyl-4-oxo-pyridin-2-olate CAS Name: 3-[(R)-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-(4-methoxyphenyl)methyl]-6-methyl-4-oxo-1-(phenylmethyl)-2-pyridinolate IUPAC Name: 1-benzyl-3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(4-methoxyphenyl)methyl]-6-methyl-4-oxopyridin-2-olate Traditional Name: 1-benzyl-3-[(R)-(4-carbethoxypiperidin-1-ium-1-yl)-(4-methoxyphenyl)methyl]-4-keto-6-methyl-pyridin-2-olate Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O5/c1-4-36-29(34)23-14-16-30(17-15-23)27(22-10-12-24(35-3)13-11-22)26-25(32)18-20(2)31(28(26)33)19-21-8-6-5-7-9-21/h5-13,18,23,27,33H,4,14-17,19H2,1-3H3/t27-/m1/s1