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

Systemtic Name: 5-ethoxycarbonyl-6-methyl-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]furo[2,3-d]pyrimidin-4-olate Openeye Name: 5-ethoxycarbonyl-6-methyl-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]furo[2,3-d]pyrimidin-4-olate CAS Name: 5-ethoxycarbonyl-6-methyl-2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-4-furo[2,3-d]pyrimidinolate IUPAC Name: 5-ethoxycarbonyl-6-methyl-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]furo[2,3-d]pyrimidin-4-olate Traditional Name: 5-carbethoxy-6-methyl-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]furo[2,3-d]pyrimidin-4-olate Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4/c1-4-23-17(22)13-11(3)24-16-14(13)15(21)18-12(19-16)9-20-7-5-6-10(2)8-20/h10H,4-9H2,1-3H3,(H,18,19,21)/t10-/m0/s1