(4S)-4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1-cyclopentyl-pyrrolidin-2-one

Systemtic Name: (4S)-4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1-cyclopentyl-pyrrolidin-2-one Openeye Name: (4S)-4-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-carbonyl]-1-cyclopentyl-pyrrolidin-2-one CAS Name: (4S)-4-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-cyclopentyl-2-pyrrolidinone IUPAC Name: (4S)-4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-1-cyclopentylpyrrolidin-2-one Traditional Name: (4S)-4-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-carbonyl]-1-cyclopentyl-2-pyrrolidone Formula: C21H28ClFN3O2+ MolecularWeight: 408.917323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CCC(C1)N2C[C@H](CC2=O)C(=O)N3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H27ClFN3O2/c22-18-6-3-7-19(23)17(18)14-24-8-10-25(11-9-24)21(28)15-12-20(27)26(13-15)16-4-1-2-5-16/h3,6-7,15-16H,1-2,4-5,8-14H2/p+1/t15-/m0/s1