[4-(4-fluorophenyl)piperazin-1-yl]-[(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]methanone

Systemtic Name: [4-(4-fluorophenyl)piperazin-1-yl]-[(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]methanone Openeye Name: [4-(4-fluorophenyl)piperazin-1-yl]-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]methanone CAS Name: [4-(4-fluorophenyl)-1-piperazinyl]-[(2S,4R)-4-hydroxy-2-pyrrolidin-1-iumyl]methanone IUPAC Name: [4-(4-fluorophenyl)piperazin-1-yl]-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]methanone Traditional Name: [4-(4-fluorophenyl)piperazino]-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]methanone Formula: C15H21FN3O2+ MolecularWeight: 294.344543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3CC(C[NH2+]3)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)[C@@H]3C[C@H](C[NH2+]3)O

InChI

InChI=1S/C15H20FN3O2/c16-11-1-3-12(4-2-11)18-5-7-19(8-6-18)15(21)14-9-13(20)10-17-14/h1-4,13-14,17,20H,5-10H2/p+1/t13-,14+/m1/s1