6-[4-[(1R)-1-[2-methoxyethyl(pyridin-3-ylmethyl)azaniumyl]-2-phenyl-ethyl]piperidin-1-yl]carbonyl-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[4-[(1R)-1-[2-methoxyethyl(pyridin-3-ylmethyl)azaniumyl]-2-phenyl-ethyl]piperidin-1-yl]carbonyl-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[4-[(1R)-1-[2-methoxyethyl(3-pyridylmethyl)ammonio]-2-phenyl-ethyl]piperidine-1-carbonyl]-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[[4-[(1R)-1-[2-methoxyethyl(3-pyridinylmethyl)ammonio]-2-phenylethyl]-1-piperidinyl]-oxomethyl]-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[4-[(1R)-1-[2-methoxyethyl(pyridin-3-ylmethyl)azaniumyl]-2-phenylethyl]piperidine-1-carbonyl]-4-oxo-1H-pyrimidin-2-olate Traditional Name: 4-keto-6-[4-[(1R)-1-[2-methoxyethyl(3-pyridylmethyl)ammonio]-2-phenyl-ethyl]piperidine-1-carbonyl]-1H-pyrimidin-2-olate Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CC1=CN=CC=C1)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)C4=CC(=O)N=C(N4)[O-]

Isomeric SMILES

COCC[NH+](CC1=CN=CC=C1)[C@H](CC2=CC=CC=C2)C3CCN(CC3)C(=O)C4=CC(=O)N=C(N4)[O-]

InChI

InChI=1S/C27H33N5O4/c1-36-15-14-32(19-21-8-5-11-28-18-21)24(16-20-6-3-2-4-7-20)22-9-12-31(13-10-22)26(34)23-17-25(33)30-27(35)29-23/h2-8,11,17-18,22,24H,9-10,12-16,19H2,1H3,(H2,29,30,33,35)/t24-/m1/s1