ethyl 4-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H27FN3O3+ MolecularWeight: 352.423683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)C(=O)NCCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C(=O)NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H26FN3O3/c1-3-25-18(24)22-12-10-21(11-13-22)14(2)17(23)20-9-8-15-4-6-16(19)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,20,23)/p+1/t14-/m1/s1