(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Openeye Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-(2-methyl-1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C22H25FN3O+ MolecularWeight: 366.451803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

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