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

Systemtic Name: ethyl 3-[2-(4-cyclohexylpiperazin-1-ium-1-yl)ethanoylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-cyclohexyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-cyclohexylpiperazin-1-ium-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C23H32FN4O3+ MolecularWeight: 431.523583

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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)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C[NH+]3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C23H31FN4O3/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/h8-9,14,17,25H,2-7,10-13,15H2,1H3,(H,26,29)/p+1