5-[(4-fluorophenyl)methoxy]-1-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-4-one

Systemtic Name: 5-[(4-fluorophenyl)methoxy]-1-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-4-one Openeye Name: 5-[(4-fluorophenyl)methoxy]-1-methyl-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridin-4-one CAS Name: 5-[(4-fluorophenyl)methoxy]-1-methyl-2-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-4-pyridinone IUPAC Name: 5-[(4-fluorophenyl)methoxy]-1-methyl-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridin-4-one Traditional Name: 5-(4-fluorobenzyl)oxy-1-methyl-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4-pyridone Formula: C23H24FN4O3+ MolecularWeight: 423.460063

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC=C(C=C4)F

Isomeric SMILES

CN1C=C(C(=O)C=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O3/c1-26-15-21(31-16-17-5-7-18(24)8-6-17)20(29)14-19(26)23(30)28-12-10-27(11-13-28)22-4-2-3-9-25-22/h2-9,14-15H,10-13,16H2,1H3/p+1