1-(2,3-dimethylindol-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,3-dimethylindol-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(2,3-dimethylindol-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,3-dimethyl-1-indolyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,3-dimethylindol-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(2,3-dimethylindol-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanone Formula: C22H25FN3O+ MolecularWeight: 366.451803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H24FN3O/c1-16-17(2)26(21-6-4-3-5-20(16)21)22(27)15-24-11-13-25(14-12-24)19-9-7-18(23)8-10-19/h3-10H,11-15H2,1-2H3/p+1