2-[(1S)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C20H22FN4O3S+ MolecularWeight: 417.477083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C20H21FN4O3S/c1-14(19-22-17-8-4-2-6-15(17)20(26)23-19)24-10-12-25(13-11-24)29(27,28)18-9-5-3-7-16(18)21/h2-9,14H,10-13H2,1H3,(H,22,23,26)/p+1/t14-/m0/s1