[(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-[4-(4-fluorophenyl)-1-piperazinyl]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-butyl]ammonium Formula: C16H25FN3O+ MolecularWeight: 294.387603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=C(C=C2)F)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)F)[NH3+]

InChI

InChI=1S/C16H24FN3O/c1-3-12(2)15(18)16(21)20-10-8-19(9-11-20)14-6-4-13(17)5-7-14/h4-7,12,15H,3,8-11,18H2,1-2H3/p+1/t12-,15-/m0/s1