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

Systemtic Name: ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl 1-(benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylate CAS Name: 1-(4-benzofuro[3,2-d]pyrimidinyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylate Traditional Name: 1-(benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3/c1-2-23-18(22)12-6-5-9-21(10-12)17-16-15(19-11-20-17)13-7-3-4-8-14(13)24-16/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3/p+1