[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone

Systemtic Name: [4-(3-fluorophenyl)carbonylpiperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Openeye Name: [4-(3-fluorobenzoyl)piperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone CAS Name: [4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-[(2S)-2-pyrrolidin-1-iumyl]methanone IUPAC Name: [4-(3-fluorobenzoyl)piperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Traditional Name: [4-(3-fluorobenzoyl)piperazino]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Formula: C16H21FN3O2+ MolecularWeight: 306.355243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C16H20FN3O2/c17-13-4-1-3-12(11-13)15(21)19-7-9-20(10-8-19)16(22)14-5-2-6-18-14/h1,3-4,11,14,18H,2,5-10H2/p+1/t14-/m0/s1