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

Systemtic Name: ethyl 1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl 1-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylate CAS Name: 1-(2-ethyl-4-benzofuro[3,2-d]pyrimidinyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylate Traditional Name: 1-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)[NH+]3CCCC(C3)C(=O)OCC)OC4=CC=CC=C42

Isomeric SMILES

CCC1=NC2=C(C(=N1)[NH+]3CCCC(C3)C(=O)OCC)OC4=CC=CC=C42

InChI

InChI=1S/C20H23N3O3/c1-3-16-21-17-14-9-5-6-10-15(14)26-18(17)19(22-16)23-11-7-8-13(12-23)20(24)25-4-2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3/p+1