3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)pyridin-1-ium-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one iodide

Systemtic Name: 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)pyridin-1-ium-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one iodide Openeye Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)pyridin-1-ium-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one iodide CAS Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-pyridin-1-iumyl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one iodide IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)pyridin-1-ium-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one iodide Traditional Name: 3-[2-[4-(6-fluoroindoxazen-3-yl)pyridin-1-ium-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one iodide Formula: C23H22FIN4O2 MolecularWeight: 532.349253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2CCCCC2=N1)CC[N+]3=CC=C(C=C3)C4=NOC5=C4C=CC(=C5)F.[I-]

Isomeric SMILES

CC1=C(C(=O)N2CCCCC2=N1)CC[N+]3=CC=C(C=C3)C4=NOC5=C4C=CC(=C5)F.[I-]

InChI

InChI=1S/C23H22FN4O2.HI/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22;/h5-8,11-12,14H,2-4,9-10,13H2,1H3;1H/q+1;/p-1