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

Systemtic Name: (3R)-4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(2-fluoro-4-methoxy-phenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-4-(2-fluoro-4-methoxy-benzyl)-3-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-2-one Formula: C18H25FN3O3+ MolecularWeight: 350.407803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCCC3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCCC3)F

InChI

InChI=1S/C18H24FN3O3/c1-25-14-5-4-13(15(19)10-14)12-22-9-6-20-18(24)16(22)11-17(23)21-7-2-3-8-21/h4-5,10,16H,2-3,6-9,11-12H2,1H3,(H,20,24)/p+1/t16-/m1/s1