[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-fluoranyl-phenyl]methylazanium

Systemtic Name: [4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-fluoranyl-phenyl]methylazanium Openeye Name: [4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-fluoro-phenyl]methylammonium CAS Name: [4-[(4-ethyl-1-piperazin-4-iumyl)methyl]-3-fluorophenyl]methylammonium IUPAC Name: [4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-fluorophenyl]methylazanium Traditional Name: [4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-fluoro-benzyl]ammonium Formula: C14H24FN3+2 MolecularWeight: 253.358863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=C(C=C2)C[NH3+])F

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=C(C=C2)C[NH3+])F

InChI

InChI=1S/C14H22FN3/c1-2-17-5-7-18(8-6-17)11-13-4-3-12(10-16)9-14(13)15/h3-4,9H,2,5-8,10-11,16H2,1H3/p+2