[(4R)-4-(4-fluoranyl-3-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]azanium

Systemtic Name: [(4R)-4-(4-fluoranyl-3-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Openeye Name: [(4R)-4-(4-fluoro-3-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium CAS Name: [(4R)-4-(4-fluoro-3-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)butyl]ammonium IUPAC Name: [(4R)-4-(4-fluoro-3-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]azanium Traditional Name: [(4R)-4-(4-fluoro-3-methyl-phenyl)-4-(4-methylpiperazin-4-ium-1-yl)butyl]ammonium Formula: C16H28FN3+2 MolecularWeight: 281.412023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CCC[NH3+])N2CC[NH+](CC2)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)[C@@H](CCC[NH3+])N2CC[NH+](CC2)C)F

InChI

InChI=1S/C16H26FN3/c1-13-12-14(5-6-15(13)17)16(4-3-7-18)20-10-8-19(2)9-11-20/h5-6,12,16H,3-4,7-11,18H2,1-2H3/p+2/t16-/m1/s1