N,N'-di(pyrimidin-1-ium-2-yl)butane-1,4-diamine ditetrafluoroborate

Systemtic Name: N,N'-di(pyrimidin-1-ium-2-yl)butane-1,4-diamine ditetrafluoroborate Openeye Name: N,N'-di(pyrimidin-1-ium-2-yl)butane-1,4-diamine ditetrafluoroborate CAS Name: N,N'-bis(2-pyrimidin-1-iumyl)butane-1,4-diamine ditetrafluoroborate IUPAC Name: N,N'-di(pyrimidin-1-ium-2-yl)butane-1,4-diamine ditetrafluoroborate Traditional Name: pyrimidin-1-ium-2-yl-[4-(pyrimidin-1-ium-2-ylamino)butyl]amine ditetrafluoroborate Formula: C12H18B2F8N6 MolecularWeight: 419.920746

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CN=C([NH+]=C1)NCCCCNC2=NC=CC=[NH+]2

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CN=C([NH+]=C1)NCCCCNC2=NC=CC=[NH+]2

InChI

InChI=1S/C12H16N6.2BF4/c1(5-13-11-15-7-3-8-16-11)2-6-14-12-17-9-4-10-18-12;2*2-1(3,4)5/h3-4,7-10H,1-2,5-6H2,(H,13,15,16)(H,14,17,18);;/q;2*-1/p+2