1-(3-methyl-3-nitro-butyl)-2,4,6-triphenyl-pyridin-1-ium tetrafluoroborate

Systemtic Name: 1-(3-methyl-3-nitro-butyl)-2,4,6-triphenyl-pyridin-1-ium tetrafluoroborate Openeye Name: 1-(3-methyl-3-nitro-butyl)-2,4,6-triphenyl-pyridin-1-ium tetrafluoroborate CAS Name: 1-(3-methyl-3-nitrobutyl)-2,4,6-triphenylpyridin-1-ium tetrafluoroborate IUPAC Name: 1-(3-methyl-3-nitrobutyl)-2,4,6-triphenylpyridin-1-ium tetrafluoroborate Traditional Name: 1-(3-methyl-3-nitro-butyl)-2,4,6-triphenyl-pyridin-1-ium tetrafluoroborate Formula: C28H27BF4N2O2 MolecularWeight: 510.330793

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(CC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(CC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H27N2O2.BF4/c1-28(2,30(31)32)18-19-29-26(23-14-8-4-9-15-23)20-25(22-12-6-3-7-13-22)21-27(29)24-16-10-5-11-17-24;2-1(3,4)5/h3-17,20-21H,18-19H2,1-2H3;/q+1;-1