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

Systemtic Name: [4-(4-fluorophenyl)carbonylpiperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Openeye Name: [4-(4-fluorobenzoyl)piperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone CAS Name: [4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-[(2S)-2-pyrrolidin-1-iumyl]methanone IUPAC Name: [4-(4-fluorobenzoyl)piperazin-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Traditional Name: [4-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C16H20FN3O2/c17-13-5-3-12(4-6-13)15(21)19-8-10-20(11-9-19)16(22)14-2-1-7-18-14/h3-6,14,18H,1-2,7-11H2/p+1/t14-/m0/s1