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

Systemtic Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate Openeye Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate CAS Name: 2-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-5-ethoxycarbonyl-6-methyl-4-furo[2,3-d]pyrimidinolate IUPAC Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-4-olate Traditional Name: 5-carbethoxy-2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methyl-furo[2,3-d]pyrimidin-4-olate Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c1-5-24-18(23)14-12(4)25-17-15(14)16(22)19-13(20-17)9-21-7-10(2)6-11(3)8-21/h10-11H,5-9H2,1-4H3,(H,19,20,22)/t10-,11-/m0/s1