methyl 1-[(4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-keto-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H20N3O4+ MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

InChI

InChI=1S/C18H19N3O4/c1-24-18(23)11-6-8-21(9-7-11)10-14-19-15-12-4-2-3-5-13(12)25-16(15)17(22)20-14/h2-5,11H,6-10H2,1H3,(H,19,20,22)/p+1