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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C21H30FN2O2+ MolecularWeight: 361.473503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29FN2O2/c1-24(12-14-3-4-19(26-2)18(22)8-14)13-20(25)23-21-9-15-5-16(10-21)7-17(6-15)11-21/h3-4,8,15-17H,5-7,9-13H2,1-2H3,(H,23,25)/p+1