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

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-(5-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone Formula: C21H23FN3O+ MolecularWeight: 352.425223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O/c1-15-2-7-20-18(12-15)19(13-23-20)21(26)14-24-8-10-25(11-9-24)17-5-3-16(22)4-6-17/h2-7,12-13,23H,8-11,14H2,1H3/p+1