4-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-1-pyrrolidin-1-yl-butan-1-one; methanesulfonic acid

Systemtic Name: 4-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-1-pyrrolidin-1-yl-butan-1-one; methanesulfonic acid Openeye Name: 4-[4-[bis(4-fluorophenyl)methylene]-1-piperidyl]-1-pyrrolidin-1-yl-butan-1-one; methanesulfonic acid CAS Name: 4-[4-[bis(4-fluorophenyl)methylidene]-1-piperidinyl]-1-(1-pyrrolidinyl)-1-butanone; methanesulfonic acid IUPAC Name: 4-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-1-pyrrolidin-1-ylbutan-1-one; methanesulfonic acid Traditional Name: 4-[4-[bis(4-fluorophenyl)methylene]piperidino]-1-pyrrolidino-butan-1-one; mesylic acid Formula: C27H34F2N2O4S MolecularWeight: 520.631666

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CCN(C1)C(=O)CCCN2CCC(=C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC2

Isomeric SMILES

CS(=O)(=O)O.C1CCN(C1)C(=O)CCCN2CCC(=C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC2

InChI

InChI=1S/C26H30F2N2O.CH4O3S/c27-23-9-5-20(6-10-23)26(21-7-11-24(28)12-8-21)22-13-18-29(19-14-22)15-3-4-25(31)30-16-1-2-17-30;1-5(2,3)4/h5-12H,1-4,13-19H2;1H3,(H,2,3,4)