1-adamantylmethyl-[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantylmethyl-[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantylmethyl-[(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantylmethyl-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantylmethyl-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantylmethyl-[(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl]ammonium Formula: C20H28FN2O+ MolecularWeight: 331.447523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)[NH2+]CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)F)[NH2+]CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27FN2O/c1-13(19(24)23-18-4-2-17(21)3-5-18)22-12-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,13-16,22H,6-12H2,1H3,(H,23,24)/p+1/t13-,14?,15?,16?,20?/m1/s1