ethyl 5-fluoranyl-3-[2-(4-phenylpiperazine-1,4-diium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-fluoranyl-3-[2-(4-phenylpiperazine-1,4-diium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-fluoro-3-[[2-(4-phenylpiperazine-1,4-diium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[1-oxo-2-(4-phenyl-1-piperazine-1,4-diiumyl)ethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-[[2-(4-phenylpiperazine-1,4-diium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[[2-(4-phenylpiperazine-1,4-diium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C23H27FN4O3+2 MolecularWeight: 426.483883

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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+]3CC[NH+](CC3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O3/c1-2-31-23(30)22-21(18-14-16(24)8-9-19(18)25-22)26-20(29)15-27-10-12-28(13-11-27)17-6-4-3-5-7-17/h3-9,14,25H,2,10-13,15H2,1H3,(H,26,29)/p+2