ethanedioic acid; [4-(4-fluorophenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

Systemtic Name: ethanedioic acid; [4-(4-fluorophenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone Openeye Name: [4-(4-fluorophenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone; oxalic acid CAS Name: [4-(4-fluorophenyl)-1-piperazinyl]-[(2S)-2-pyrrolidinyl]methanone; oxalic acid IUPAC Name: [4-(4-fluorophenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone; oxalic acid Traditional Name: [4-(4-fluorophenyl)piperazino]-[(2S)-pyrrolidin-2-yl]methanone; oxalic acid Formula: C17H22FN3O5 MolecularWeight: 367.372083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1C[C@H](NC1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H20FN3O.C2H2O4/c16-12-3-5-13(6-4-12)18-8-10-19(11-9-18)15(20)14-2-1-7-17-14;3-1(4)2(5)6/h3-6,14,17H,1-2,7-11H2;(H,3,4)(H,5,6)/t14-;/m0./s1