[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-[(3-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl]-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [2-(1-adamantylmethylamino)-2-keto-ethyl]-(3-fluorobenzyl)-methyl-ammonium Formula: C21H30FN2O+ MolecularWeight: 345.474103

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)F)CC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)F)CC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

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