6-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-2-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-2-methyl-1H-pyrimidin-4-one Openeye Name: 6-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-2-methyl-1H-pyrimidin-4-one CAS Name: 6-[1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-2-methyl-1H-pyrimidin-4-one IUPAC Name: 6-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 6-[1-(benzofurazan-5-ylmethyl)piperidin-1-ium-4-yl]-2-methyl-1H-pyrimidin-4-one Formula: C17H20N5O2+ MolecularWeight: 326.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C=C(N1)C2CC[NH+](CC2)CC3=CC4=NON=C4C=C3

Isomeric SMILES

CC1=NC(=O)C=C(N1)C2CC[NH+](CC2)CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C17H19N5O2/c1-11-18-15(9-17(23)19-11)13-4-6-22(7-5-13)10-12-2-3-14-16(8-12)21-24-20-14/h2-3,8-9,13H,4-7,10H2,1H3,(H,18,19,23)/p+1