1-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one Openeye Name: 1-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carbonyl]phenyl]-2-pyrrolidone Formula: C23H27FN3O3+ MolecularWeight: 412.477183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3N4CCCC4=O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3N4CCCC4=O)F

InChI

InChI=1S/C23H26FN3O3/c1-30-21-9-8-17(15-19(21)24)16-25-11-13-26(14-12-25)23(29)18-5-2-3-6-20(18)27-10-4-7-22(27)28/h2-3,5-6,8-9,15H,4,7,10-14,16H2,1H3/p+1