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

Systemtic Name: ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethanoylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbethoxypiperazin-1-ium-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C20H26FN4O5+ MolecularWeight: 421.442643

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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)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN4O5/c1-3-29-19(27)18-17(14-11-13(21)5-6-15(14)22-18)23-16(26)12-24-7-9-25(10-8-24)20(28)30-4-2/h5-6,11,22H,3-4,7-10,12H2,1-2H3,(H,23,26)/p+1