tert-butyl 4-[(2R)-3-(6-chloranylpyridin-3-yl)-2-methyl-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(2R)-3-(6-chloranylpyridin-3-yl)-2-methyl-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(2R)-3-(6-chloro-3-pyridyl)-2-methyl-3-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-3-(6-chloro-3-pyridinyl)-2-methyl-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2R)-3-(6-chloropyridin-3-yl)-2-methyl-3-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-(6-chloro-3-pyridyl)-3-keto-2-methyl-propyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C18H27ClN3O3+ MolecularWeight: 368.87828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)C(=O)OC(C)(C)C)C(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

C[C@H](C[NH+]1CCN(CC1)C(=O)OC(C)(C)C)C(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C18H26ClN3O3/c1-13(16(23)14-5-6-15(19)20-11-14)12-21-7-9-22(10-8-21)17(24)25-18(2,3)4/h5-6,11,13H,7-10,12H2,1-4H3/p+1/t13-/m1/s1