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

Systemtic Name: ethyl 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl 1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylate CAS Name: 1-(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylate Traditional Name: 1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C2=NC(=NC3=C2OC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1CCC[NH+](C1)C2=NC(=NC3=C2OC4=CC=CC=C43)C

InChI

InChI=1S/C19H21N3O3/c1-3-24-19(23)13-7-6-10-22(11-13)18-17-16(20-12(2)21-18)14-8-4-5-9-15(14)25-17/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3/p+1