3-(furan-2-ylmethyl)-10-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrimido[4,5-b]quinoline-4,5-dione

Systemtic Name: 3-(furan-2-ylmethyl)-10-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrimido[4,5-b]quinoline-4,5-dione Openeye Name: 3-(2-furylmethyl)-10-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrimido[4,5-b]quinoline-4,5-dione CAS Name: 3-(2-furanylmethyl)-10-methyl-2-(1-piperidin-1-iumylmethyl)pyrimido[4,5-b]quinoline-4,5-dione IUPAC Name: 3-(furan-2-ylmethyl)-10-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrimido[4,5-b]quinoline-4,5-dione Traditional Name: 3-(2-furfuryl)-10-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrimido[4,5-b]quinoline-4,5-quinone Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CC4=CC=CO4)C[NH+]5CCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CC4=CC=CO4)C[NH+]5CCCCC5

InChI

InChI=1S/C23H24N4O3/c1-25-18-10-4-3-9-17(18)21(28)20-22(25)24-19(15-26-11-5-2-6-12-26)27(23(20)29)14-16-8-7-13-30-16/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3/p+1