(3R)-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(2-chloro-4-fluoro-phenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(2-chloro-4-fluorophenyl)methyl]-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(2-chloro-4-fluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-4-(2-chloro-4-fluoro-benzyl)-3-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-2-one Formula: C17H22ClFN3O2+ MolecularWeight: 354.826883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CC2C(=O)NCC[NH+]2CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H21ClFN3O2/c18-14-9-13(19)4-3-12(14)11-22-8-5-20-17(24)15(22)10-16(23)21-6-1-2-7-21/h3-4,9,15H,1-2,5-8,10-11H2,(H,20,24)/p+1/t15-/m1/s1