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

Systemtic Name: 1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-one Openeye Name: 1-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-one CAS Name: 1-(2-ethyl-4-benzofuro[3,2-d]pyrimidinyl)-4-piperidin-1-iumone IUPAC Name: 1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-one Traditional Name: 1-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-one Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)[NH+]3CCC(=O)CC3)OC4=CC=CC=C42

Isomeric SMILES

CCC1=NC2=C(C(=N1)[NH+]3CCC(=O)CC3)OC4=CC=CC=C42

InChI

InChI=1S/C17H17N3O2/c1-2-14-18-15-12-5-3-4-6-13(12)22-16(15)17(19-14)20-9-7-11(21)8-10-20/h3-6H,2,7-10H2,1H3/p+1