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

Systemtic Name: ethyl 3-[[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[(2S)-2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[(2S)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]-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)C(C)[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN4O3/c1-3-32-24(31)22-21(17-8-4-6-10-19(17)26-22)27-23(30)16(2)28-12-14-29(15-13-28)20-11-7-5-9-18(20)25/h4-11,16,26H,3,12-15H2,1-2H3,(H,27,30)/p+1/t16-/m0/s1