5-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 5-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 5-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 5-[[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 5-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 5-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C17H22FN4O4S+ MolecularWeight: 397.444383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C17H21FN4O4S/c1-19-12-15(16(23)20(2)17(19)24)27(25,26)22-9-7-21(8-10-22)11-13-5-3-4-6-14(13)18/h3-6,12H,7-11H2,1-2H3/p+1