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

Systemtic Name: 3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-pyridin-4-yl-methyl]-6-methyl-4-oxidanylidene-1-(phenylmethyl)pyridin-2-olate Openeye Name: 1-benzyl-3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-(4-pyridyl)methyl]-6-methyl-4-oxo-pyridin-2-olate CAS Name: 3-[(R)-(4-ethoxycarbonyl-1-piperidin-1-iumyl)-pyridin-4-ylmethyl]-6-methyl-4-oxo-1-(phenylmethyl)-2-pyridinolate IUPAC Name: 1-benzyl-3-[(R)-(4-ethoxycarbonylpiperidin-1-ium-1-yl)-pyridin-4-ylmethyl]-6-methyl-4-oxopyridin-2-olate Traditional Name: 1-benzyl-3-[(R)-(4-carbethoxypiperidin-1-ium-1-yl)-(4-pyridyl)methyl]-4-keto-6-methyl-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=NC=C2)C3=C(N(C(=CC3=O)C)CC4=CC=CC=C4)[O-]

Isomeric SMILES

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

InChI

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