1-(3-fluorophenyl)sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium Openeye Name: 1-(3-fluorophenyl)sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium CAS Name: 1-(3-fluorophenyl)sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium IUPAC Name: 1-(3-fluorophenyl)sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium Traditional Name: 1-(3-fluorophenyl)sulfonyl-4-(3-methylbut-2-enyl)piperazin-4-ium Formula: C15H22FN2O2S+ MolecularWeight: 313.410783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F)C

Isomeric SMILES

CC(=CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F)C

InChI

InChI=1S/C15H21FN2O2S/c1-13(2)6-7-17-8-10-18(11-9-17)21(19,20)15-5-3-4-14(16)12-15/h3-6,12H,7-11H2,1-2H3/p+1