2-(3-methylimidazol-3-ium-1-yl)ethyl 4-phenylbenzoate tetrafluoroborate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-phenylbenzoate tetrafluoroborate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-phenylbenzoate tetrafluoroborate CAS Name: 4-phenylbenzoic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester tetrafluoroborate IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-phenylbenzoate tetrafluoroborate Traditional Name: 4-phenylbenzoic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester tetrafluoroborate Formula: C19H19BF4N2O2 MolecularWeight: 394.170973

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=CN(C=C1)CCOC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=CN(C=C1)CCOC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H19N2O2.BF4/c1-20-11-12-21(15-20)13-14-23-19(22)18-9-7-17(8-10-18)16-5-3-2-4-6-16;2-1(3,4)5/h2-12,15H,13-14H2,1H3;/q+1;-1