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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24F2N4O3/c1-2-32-23(31)22-21(18-13-16(25)5-8-19(18)26-22)27-20(30)14-28-9-11-29(12-10-28)17-6-3-15(24)4-7-17/h3-8,13,26H,2,9-12,14H2,1H3,(H,27,30)/p+1