(2-chloranyl-6-fluoranyl-phenyl)methyl-[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C17H25ClFN2O+ MolecularWeight: 327.844603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)[NH+](C)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)[NH+](C)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H24ClFN2O/c1-12(17(22)20-13-7-4-3-5-8-13)21(2)11-14-15(18)9-6-10-16(14)19/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,20,22)/p+1/t12-/m1/s1