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

Systemtic Name: 1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-one chloride Openeye Name: 1-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-one chloride CAS Name: 1-(2-ethyl-4-benzofuro[3,2-d]pyrimidinyl)-4-piperidin-1-iumone chloride IUPAC Name: 1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-one chloride Traditional Name: 1-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-one chloride Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2.ClH/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;1H