1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C20H25FN3O4S+ MolecularWeight: 422.493603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O4S/c1-13-19(15(3)25)14(2)22-20(13)18(26)12-23-8-10-24(11-9-23)29(27,28)17-6-4-16(21)5-7-17/h4-7,22H,8-12H2,1-3H3/p+1