propyl 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: propyl 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: propyl 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid propyl ester IUPAC Name: propyl 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-(4-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]acetic acid propyl ester Formula: C16H22FN2O3+ MolecularWeight: 309.355883

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC=C(C=C2)F

Isomeric SMILES

CCCOC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC=C(C=C2)F

InChI

InChI=1S/C16H21FN2O3/c1-2-9-22-15(20)10-14-16(21)18-7-8-19(14)11-12-3-5-13(17)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,18,21)/p+1/t14-/m1/s1