[(2S,3S)-1-[(3-fluorophenyl)methyl-methyl-amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-[(3-fluorophenyl)methyl-methyl-amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[(3-fluorophenyl)methyl-methyl-carbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-[(3-fluorophenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-[(3-fluorophenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[(3-fluorobenzyl)-methyl-carbamoyl]-2-methyl-butyl]ammonium Formula: C14H22FN2O+ MolecularWeight: 253.335683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C)CC1=CC(=CC=C1)F)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N(C)CC1=CC(=CC=C1)F)[NH3+]

InChI

InChI=1S/C14H21FN2O/c1-4-10(2)13(16)14(18)17(3)9-11-6-5-7-12(15)8-11/h5-8,10,13H,4,9,16H2,1-3H3/p+1/t10-,13-/m0/s1