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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-[(2-fluorophenyl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl]-[(2-fluorophenyl)methyl]-methyl-ammonium CAS Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium Traditional Name: [2-(1-adamantylmethylamino)-2-keto-ethyl]-(2-fluorobenzyl)-methyl-ammonium Formula: C21H30FN2O+ MolecularWeight: 345.474103

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1F)CC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1F)CC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29FN2O/c1-24(12-18-4-2-3-5-19(18)22)13-20(25)23-14-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17H,6-14H2,1H3,(H,23,25)/p+1