[3-(azocan-1-ium-1-ylmethyl)-4-fluoranyl-phenyl]methylazanium

Systemtic Name: [3-(azocan-1-ium-1-ylmethyl)-4-fluoranyl-phenyl]methylazanium Openeye Name: [3-(azocan-1-ium-1-ylmethyl)-4-fluoro-phenyl]methylammonium CAS Name: [3-(1-azocan-1-iumylmethyl)-4-fluorophenyl]methylammonium IUPAC Name: [3-(azocan-1-ium-1-ylmethyl)-4-fluorophenyl]methylazanium Traditional Name: [3-(azocan-1-ium-1-ylmethyl)-4-fluoro-benzyl]ammonium Formula: C15H25FN2+2 MolecularWeight: 252.370803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=C(C=CC(=C2)C[NH3+])F

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=C(C=CC(=C2)C[NH3+])F

InChI

InChI=1S/C15H23FN2/c16-15-7-6-13(11-17)10-14(15)12-18-8-4-2-1-3-5-9-18/h6-7,10H,1-5,8-9,11-12,17H2/p+2