5-ethoxycarbonyl-6-methyl-2-[[(3S)-3-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]furo[2,3-d]pyrimidin-4-olate

Systemtic Name: 5-ethoxycarbonyl-6-methyl-2-[[(3S)-3-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]furo[2,3-d]pyrimidin-4-olate Openeye Name: 5-ethoxycarbonyl-6-methyl-2-[[(3S)-3-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]furo[2,3-d]pyrimidin-4-olate CAS Name: 2-[[(3S)-3-[anilino(oxo)methyl]-1-piperidin-1-iumyl]methyl]-5-ethoxycarbonyl-6-methyl-4-furo[2,3-d]pyrimidinolate IUPAC Name: 5-ethoxycarbonyl-6-methyl-2-[[(3S)-3-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]furo[2,3-d]pyrimidin-4-olate Traditional Name: 5-carbethoxy-6-methyl-2-[[(3S)-3-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]furo[2,3-d]pyrimidin-4-olate Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCCC(C3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCC[C@@H](C3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4O5/c1-3-31-23(30)18-14(2)32-22-19(18)21(29)25-17(26-22)13-27-11-7-8-15(12-27)20(28)24-16-9-5-4-6-10-16/h4-6,9-10,15H,3,7-8,11-13H2,1-2H3,(H,24,28)(H,25,26,29)/t15-/m0/s1