3-[2-(4-fluorophenyl)-1H-indol-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C26H26FN4O+ MolecularWeight: 429.509243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H25FN4O/c27-20-10-8-19(9-11-20)26-22(21-5-1-2-6-23(21)29-26)12-13-25(32)31-17-15-30(16-18-31)24-7-3-4-14-28-24/h1-11,14,29H,12-13,15-18H2/p+1