6-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]-1H-pyrimidin-4-one CAS Name: 6-[1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 6-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Traditional Name: 6-[1-(benzofurazan-4-ylmethyl)piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Formula: C16H18N5O2+ MolecularWeight: 312.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC(=O)N=CN2)CC3=CC=CC4=NON=C43

Isomeric SMILES

C1C[NH+](CCC1C2=CC(=O)N=CN2)CC3=CC=CC4=NON=C43

InChI

InChI=1S/C16H17N5O2/c22-15-8-14(17-10-18-15)11-4-6-21(7-5-11)9-12-2-1-3-13-16(12)20-23-19-13/h1-3,8,10-11H,4-7,9H2,(H,17,18,22)/p+1