1-(4-fluorophenyl)-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-fluorophenyl)-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-(4-fluorophenyl)-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butane-1,4-dione CAS Name: 1-(4-fluorophenyl)-4-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(4-fluorophenyl)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-(4-fluorophenyl)-4-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]butane-1,4-dione Formula: C20H27FN3O3+ MolecularWeight: 376.445083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H26FN3O3/c21-17-5-3-16(4-6-17)18(25)7-8-19(26)24-13-11-22(12-14-24)15-20(27)23-9-1-2-10-23/h3-6H,1-2,7-15H2/p+1