1-(5-fluoranyl-1H-indol-3-yl)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(5-fluoranyl-1H-indol-3-yl)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(5-fluoro-1H-indol-3-yl)-2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(5-fluoro-1H-indol-3-yl)-2-[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(5-fluoro-1H-indol-3-yl)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(5-fluoro-1H-indol-3-yl)-2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]ethanone Formula: C22H25FN3O+ MolecularWeight: 366.451803

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=CC(=C2)C)CC(=O)C3=CNC4=C3C=C(C=C4)F

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=CC(=C2)C)CC(=O)C3=CNC4=C3C=C(C=C4)F

InChI

InChI=1S/C22H24FN3O/c1-15-4-3-5-18(10-15)26-9-8-25(13-16(26)2)14-22(27)20-12-24-21-7-6-17(23)11-19(20)21/h3-7,10-12,16,24H,8-9,13-14H2,1-2H3/p+1/t16-/m0/s1