(3-prop-2-ynoxyphenyl)methyl 2-fluoranyl-2,6-dimethyl-piperazine-1-carboxylate hydrochloride

Systemtic Name: (3-prop-2-ynoxyphenyl)methyl 2-fluoranyl-2,6-dimethyl-piperazine-1-carboxylate hydrochloride Openeye Name: (3-prop-2-ynoxyphenyl)methyl 2-fluoro-2,6-dimethyl-piperazine-1-carboxylate hydrochloride CAS Name: 2-fluoro-2,6-dimethyl-1-piperazinecarboxylic acid (3-prop-2-ynoxyphenyl)methyl ester hydrochloride IUPAC Name: (3-prop-2-ynoxyphenyl)methyl 2-fluoro-2,6-dimethylpiperazine-1-carboxylate hydrochloride Traditional Name: 2-fluoro-2,6-dimethyl-piperazine-1-carboxylic acid (3-propargyloxybenzyl) ester hydrochloride Formula: C17H22ClFN2O3 MolecularWeight: 356.819583

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCC(N1C(=O)OCC2=CC(=CC=C2)OCC#C)(C)F.Cl

Isomeric SMILES

CC1CNCC(N1C(=O)OCC2=CC(=CC=C2)OCC#C)(C)F.Cl

InChI

InChI=1S/C17H21FN2O3.ClH/c1-4-8-22-15-7-5-6-14(9-15)11-23-16(21)20-13(2)10-19-12-17(20,3)18;/h1,5-7,9,13,19H,8,10-12H2,2-3H3;1H