1-[4-[[(3S)-3-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one

Systemtic Name: 1-[4-[[(3S)-3-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one Openeye Name: 1-[4-[[(3S)-3-(3-fluoro-4-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one CAS Name: 1-[4-[[(3S)-3-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]-2-imidazolidinone IUPAC Name: 1-[4-[[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]imidazolidin-2-one Traditional Name: 1-[4-[[(3S)-3-(3-fluoro-4-methoxy-benzoyl)piperidin-1-ium-1-yl]methyl]phenyl]-2-imidazolidinone Formula: C23H27FN3O3+ MolecularWeight: 412.477183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)N4CCNC4=O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)N4CCNC4=O)F

InChI

InChI=1S/C23H26FN3O3/c1-30-21-9-6-17(13-20(21)24)22(28)18-3-2-11-26(15-18)14-16-4-7-19(8-5-16)27-12-10-25-23(27)29/h4-9,13,18H,2-3,10-12,14-15H2,1H3,(H,25,29)/p+1/t18-/m0/s1