1-[3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one Openeye Name: 1-[3-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-(5-fluoro-2-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)F)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)N4CCCC4=O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)N4CCCC4=O

InChI

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