1-[5-fluoranyl-3-[(3-fluorophenyl)methyl]-1-methyl-indol-1-ium-1-yl]-3-piperidin-4-yl-propan-1-one

Systemtic Name: 1-[5-fluoranyl-3-[(3-fluorophenyl)methyl]-1-methyl-indol-1-ium-1-yl]-3-piperidin-4-yl-propan-1-one Openeye Name: 1-[5-fluoro-3-[(3-fluorophenyl)methyl]-1-methyl-indol-1-ium-1-yl]-3-(4-piperidyl)propan-1-one CAS Name: 1-[5-fluoro-3-[(3-fluorophenyl)methyl]-1-methyl-1-indol-1-iumyl]-3-(4-piperidinyl)-1-propanone IUPAC Name: 1-[5-fluoro-3-[(3-fluorophenyl)methyl]-1-methylindol-1-ium-1-yl]-3-piperidin-4-ylpropan-1-one Traditional Name: 1-[5-fluoro-3-(3-fluorobenzyl)-1-methyl-indol-1-ium-1-yl]-3-(4-piperidyl)propan-1-one Formula: C24H27F2N2O+ MolecularWeight: 397.480786

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C2=C1C=CC(=C2)F)CC3=CC(=CC=C3)F)C(=O)CCC4CCNCC4

Isomeric SMILES

C[N+]1(C=C(C2=C1C=CC(=C2)F)CC3=CC(=CC=C3)F)C(=O)CCC4CCNCC4

InChI

InChI=1S/C24H27F2N2O/c1-28(24(29)8-5-17-9-11-27-12-10-17)16-19(13-18-3-2-4-20(25)14-18)22-15-21(26)6-7-23(22)28/h2-4,6-7,14-17,27H,5,8-13H2,1H3/q+1