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

Systemtic Name: ethyl 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl 1-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylate CAS Name: 1-(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylate Traditional Name: 1-(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H24N3O3+ MolecularWeight: 402.46566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C2=NC(=NC3=C2OC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCC[NH+](C1)C2=NC(=NC3=C2OC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C24H23N3O3/c1-2-29-24(28)17-11-8-14-27(15-17)23-21-20(18-12-6-7-13-19(18)30-21)25-22(26-23)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3/p+1