[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]-cyclopropyl-[(4-fluorophenyl)methyl]ammonium CAS Name: [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium Traditional Name: [2-(1-adamantylcarbamoylamino)-2-keto-ethyl]-cyclopropyl-(4-fluorobenzyl)ammonium Formula: C23H31FN3O2+ MolecularWeight: 400.509543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=CC=C(C=C2)F)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC1[NH+](CC2=CC=C(C=C2)F)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30FN3O2/c24-19-3-1-15(2-4-19)13-27(20-5-6-20)14-21(28)25-22(29)26-23-10-16-7-17(11-23)9-18(8-16)12-23/h1-4,16-18,20H,5-14H2,(H2,25,26,28,29)/p+1