methyl 5-fluoranyl-3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-fluoranyl-3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-fluoro-3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-fluoro-3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H25F2N4O3+ MolecularWeight: 443.466406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H24F2N4O3/c1-32-23(31)22-21(16-14-15(24)6-7-18(16)26-22)27-20(30)8-9-28-10-12-29(13-11-28)19-5-3-2-4-17(19)25/h2-7,14,26H,8-13H2,1H3,(H,27,30)/p+1