[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]-ethyl-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C24H35FN3O3+ MolecularWeight: 432.551403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34FN3O3/c1-4-28(14-16-5-6-21(31-3)20(25)10-16)15(2)22(29)26-23(30)27-24-11-17-7-18(12-24)9-19(8-17)13-24/h5-6,10,15,17-19H,4,7-9,11-14H2,1-3H3,(H2,26,27,29,30)/p+1/t15-,17?,18?,19?,24?/m1/s1