[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-[(2-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-[(2-fluorophenyl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]-[(2-fluorophenyl)methyl]-methyl-ammonium CAS Name: [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium Traditional Name: [2-(1-adamantylcarbamoylamino)-2-keto-ethyl]-(2-fluorobenzyl)-methyl-ammonium Formula: C21H29FN3O2+ MolecularWeight: 374.472263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1F)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1F)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28FN3O2/c1-25(12-17-4-2-3-5-18(17)22)13-19(26)23-20(27)24-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-13H2,1H3,(H2,23,24,26,27)/p+1