[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cycloheptyl-amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cycloheptyl-amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[(2-chloro-6-fluoro-phenyl)methyl-cycloheptyl-amino]-2-oxo-ethyl]ammonium CAS Name: [2-[(2-chloro-6-fluorophenyl)methyl-cycloheptylamino]-2-oxoethyl]ammonium IUPAC Name: [2-[(2-chloro-6-fluorophenyl)methyl-cycloheptylamino]-2-oxoethyl]azanium Traditional Name: [2-[(2-chloro-6-fluoro-benzyl)-cycloheptyl-amino]-2-keto-ethyl]ammonium Formula: C16H23ClFN2O+ MolecularWeight: 313.818023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N(CC2=C(C=CC=C2Cl)F)C(=O)C[NH3+]

Isomeric SMILES

C1CCCC(CC1)N(CC2=C(C=CC=C2Cl)F)C(=O)C[NH3+]

InChI

InChI=1S/C16H22ClFN2O/c17-14-8-5-9-15(18)13(14)11-20(16(21)10-19)12-6-3-1-2-4-7-12/h5,8-9,12H,1-4,6-7,10-11,19H2/p+1