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

Systemtic Name: 1-[[3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[3-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-carbonyl]benzyl]-2-pyrrolidone Formula: C24H29FN3O3+ MolecularWeight: 426.503763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4CCCC4=O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4CCCC4=O

InChI

InChI=1S/C24H28FN3O3/c1-31-22-8-7-21(25)15-20(22)17-26-10-12-27(13-11-26)24(30)19-5-2-4-18(14-19)16-28-9-3-6-23(28)29/h2,4-5,7-8,14-15H,3,6,9-13,16-17H2,1H3/p+1