ethyl 5-fluoranyl-3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-fluoranyl-3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-fluoro-3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[(2S)-1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[[(2S)-2-(4-phenylpiperazin-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=C(N1)C=CC(=C2)F)NC(=O)C(C)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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