3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-ium-1-yl]ethyl]-1H-quinazolin-1-ium-2,4-dione

Systemtic Name: 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-ium-1-yl]ethyl]-1H-quinazolin-1-ium-2,4-dione Openeye Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-ium-1-yl]ethyl]-1H-quinazolin-1-ium-2,4-dione CAS Name: 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidin-1-iumyl]ethyl]-1H-quinazolin-1-ium-2,4-dione IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-ium-1-yl]ethyl]-1H-quinazolin-1-ium-2,4-dione Traditional Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-ium-1-yl]ethyl]-1H-quinazolin-1-ium-2,4-quinone Formula: C22H24FN3O3+2 MolecularWeight: 397.442663

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4[NH2+]C3=O

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4[NH2+]C3=O

InChI

InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)/p+2