[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]-[(2-chloro-6-fluoro-phenyl)methyl]-methyl-ammonium CAS Name: [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium Traditional Name: [2-(1-adamantylcarbamoylamino)-2-keto-ethyl]-(2-chloro-6-fluoro-benzyl)-methyl-ammonium Formula: C21H28ClFN3O2+ MolecularWeight: 408.917323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC=C1Cl)F)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC1=C(C=CC=C1Cl)F)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27ClFN3O2/c1-26(11-16-17(22)3-2-4-18(16)23)12-19(27)24-20(28)25-21-8-13-5-14(9-21)7-15(6-13)10-21/h2-4,13-15H,5-12H2,1H3,(H2,24,25,27,28)/p+1