[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl]-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: [2-(1-adamantylmethylamino)-2-keto-ethyl]-ethyl-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C23H34FN2O2+ MolecularWeight: 389.526663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33FN2O2/c1-3-26(13-16-4-5-21(28-2)20(24)9-16)14-22(27)25-15-23-10-17-6-18(11-23)8-19(7-17)12-23/h4-5,9,17-19H,3,6-8,10-15H2,1-2H3,(H,25,27)/p+1