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

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C21H29FN3O3S+ MolecularWeight: 422.536663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H28FN3O3S/c1-15(2)25-16(3)13-20(17(25)4)21(26)14-23-9-11-24(12-10-23)29(27,28)19-7-5-18(22)6-8-19/h5-8,13,15H,9-12,14H2,1-4H3/p+1