ethyl 4-[2-(5-fluoranyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-(5-fluoranyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(5-fluoro-1H-indol-3-yl)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H21FN3O3+ MolecularWeight: 334.365343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)C2=CNC3=C2C=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)C2=CNC3=C2C=C(C=C3)F

InChI

InChI=1S/C17H20FN3O3/c1-2-24-17(23)21-7-5-20(6-8-21)11-16(22)14-10-19-15-4-3-12(18)9-13(14)15/h3-4,9-10,19H,2,5-8,11H2,1H3/p+1