ethyl 2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]acetic acid ethyl ester Formula: C16H22FN2O4+ MolecularWeight: 325.355283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=C(C=C(C=C2)OC)F

Isomeric SMILES

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=C(C=C(C=C2)OC)F

InChI

InChI=1S/C16H21FN2O4/c1-3-23-15(20)9-14-16(21)18-6-7-19(14)10-11-4-5-12(22-2)8-13(11)17/h4-5,8,14H,3,6-7,9-10H2,1-2H3,(H,18,21)/p+1