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

Systemtic Name: ethyl 3-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C19H26FN4O3+ MolecularWeight: 377.433143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C19H25FN4O3/c1-3-23-7-9-24(10-8-23)12-16(25)22-17-14-11-13(20)5-6-15(14)21-18(17)19(26)27-4-2/h5-6,11,21H,3-4,7-10,12H2,1-2H3,(H,22,25)/p+1