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

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-4-8-25-16(2)13-20(17(25)3)21(26)15-23-9-11-24(12-10-23)29(27,28)19-7-5-6-18(22)14-19/h4-7,13-14H,1,8-12,15H2,2-3H3/p+1