1,3-bis(2,4,6-trimethylphenyl)-1,3-diazinan-1-ium tetrafluoroborate

Systemtic Name: 1,3-bis(2,4,6-trimethylphenyl)-1,3-diazinan-1-ium tetrafluoroborate Openeye Name: 1,3-bis(2,4,6-trimethylphenyl)hexahydropyrimidin-1-ium tetrafluoroborate CAS Name: 1,3-bis(2,4,6-trimethylphenyl)-1,3-diazinan-1-ium tetrafluoroborate IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-1,3-diazinan-1-ium tetrafluoroborate Traditional Name: 1,3-dimesitylhexahydropyrimidin-1-ium tetrafluoroborate Formula: C22H31BF4N2 MolecularWeight: 410.299553

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)[NH+]2CCCN(C2)C3=C(C=C(C=C3C)C)C)C

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)[NH+]2CCCN(C2)C3=C(C=C(C=C3C)C)C)C

InChI

InChI=1S/C22H30N2.BF4/c1-15-10-17(3)21(18(4)11-15)23-8-7-9-24(14-23)22-19(5)12-16(2)13-20(22)6;2-1(3,4)5/h10-13H,7-9,14H2,1-6H3;/q;-1/p+1