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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-ethyl-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C22H32FN2O2+ MolecularWeight: 375.500083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31FN2O2/c1-3-25(13-15-4-5-20(27-2)19(23)9-15)14-21(26)24-22-10-16-6-17(11-22)8-18(7-16)12-22/h4-5,9,16-18H,3,6-8,10-14H2,1-2H3,(H,24,26)/p+1