1-[(E)-4-(4-fluorophenyl)but-3-enyl]-3-heptyl-imidazol-3-ium

Systemtic Name: 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-3-heptyl-imidazol-3-ium Openeye Name: 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-3-heptyl-imidazol-3-ium CAS Name: 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-3-heptylimidazol-3-ium IUPAC Name: 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-3-heptylimidazol-3-ium Traditional Name: 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-3-heptyl-imidazol-3-ium Formula: C20H28FN2+ MolecularWeight: 315.448123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CN(C=C1)CCC=CC2=CC=C(C=C2)F

Isomeric SMILES

CCCCCCC[N+]1=CN(C=C1)CC/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C20H28FN2/c1-2-3-4-5-7-14-22-16-17-23(18-22)15-8-6-9-19-10-12-20(21)13-11-19/h6,9-13,16-18H,2-5,7-8,14-15H2,1H3/q+1/b9-6+