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

Systemtic Name: ethyl 3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C24H28FN4O3+ MolecularWeight: 439.502523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C24H27FN4O3/c1-2-32-24(31)23-22(17-7-3-5-9-19(17)26-23)27-21(30)11-12-28-13-15-29(16-14-28)20-10-6-4-8-18(20)25/h3-10,26H,2,11-16H2,1H3,(H,27,30)/p+1