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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C2=NC=NC3=C2OC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C2=NC=NC3=C2OC4=CC=CC=C43

InChI

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