ethyl 4-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[4-(4-fluorophenyl)-4-oxo-butyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[4-(4-fluorophenyl)-4-oxobutyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)-4-keto-butyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H24FN2O3+ MolecularWeight: 323.382463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H23FN2O3/c1-2-23-17(22)20-12-10-19(11-13-20)9-3-4-16(21)14-5-7-15(18)8-6-14/h5-8H,2-4,9-13H2,1H3/p+1