(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Formula: C19H31FN4O3S+2 MolecularWeight: 414.537843

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H29FN4O3S/c1-3-21-8-10-23(11-9-21)19(25)16(2)22-12-14-24(15-13-22)28(26,27)18-6-4-17(20)5-7-18/h4-7,16H,3,8-15H2,1-2H3/p+2/t16-/m0/s1