3-[2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C28H34FN4O2+ MolecularWeight: 477.593563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CCC3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CCC3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H33FN4O2/c29-22-10-8-21(9-11-22)28-24(23-6-2-3-7-25(23)30-28)12-13-26(34)33-18-16-31(17-19-33)20-27(35)32-14-4-1-5-15-32/h2-3,6-11,30H,1,4-5,12-20H2/p+1