4-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzamide Openeye Name: 4-fluoro-N-[(1R)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide CAS Name: 4-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]benzamide IUPAC Name: 4-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-2-yl]benzamide Traditional Name: 4-fluoro-N-[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]benzamide Formula: C27H27FN5O2+ MolecularWeight: 472.533983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H26FN5O2/c28-21-7-5-19(6-8-21)26(34)31-25(17-20-18-30-24-4-2-1-3-23(20)24)27(35)33-15-13-32(14-16-33)22-9-11-29-12-10-22/h1-12,18,25,30H,13-17H2,(H,31,34)/p+1/t25-/m1/s1