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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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