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

Systemtic Name: 5-ethoxycarbonyl-6-methyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]furo[2,3-d]pyrimidin-4-olate Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-4-olate CAS Name: 5-ethoxycarbonyl-6-methyl-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-4-furo[2,3-d]pyrimidinolate IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-4-olate Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-carbethoxy-6-methyl-furo[2,3-d]pyrimidin-4-olate Formula: C23H27N3O4 MolecularWeight: 409.47818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)[O-])C[NH+]3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H27N3O4/c1-3-29-23(28)19-15(2)30-22-20(19)21(27)24-18(25-22)14-26-11-9-17(10-12-26)13-16-7-5-4-6-8-16/h4-8,17H,3,9-14H2,1-2H3,(H,24,25,27)