2-adamantyl-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 2-adamantyl-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2-adamantyl-[(1R)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: 2-adamantyl-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]ammonium IUPAC Name: 2-adamantyl-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]azanium Traditional Name: 2-adamantyl-[(1R)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl]ammonium Formula: C21H30FN2O+ MolecularWeight: 345.474103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)[NH2+]C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=C(C=C1)F)[NH2+]C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H29FN2O/c1-13(21(25)23-7-6-14-2-4-19(22)5-3-14)24-20-17-9-15-8-16(11-17)12-18(20)10-15/h2-5,13,15-18,20,24H,6-12H2,1H3,(H,23,25)/p+1/t13-,15?,16?,17?,18?,20?/m1/s1