3-(3,8-diazido-6-phenyl-phenanthridin-5-ium-5-yl)propyl-pentan-3-yl-azanium ditetrafluoroborate

Systemtic Name: 3-(3,8-diazido-6-phenyl-phenanthridin-5-ium-5-yl)propyl-pentan-3-yl-azanium ditetrafluoroborate Openeye Name: 3-(3,8-diazido-6-phenyl-phenanthridin-5-ium-5-yl)propyl-(1-ethylpropyl)ammonium ditetrafluoroborate CAS Name: 3-(3,8-diazido-6-phenyl-5-phenanthridin-5-iumyl)propyl-pentan-3-ylammonium ditetrafluoroborate IUPAC Name: 3-(3,8-diazido-6-phenylphenanthridin-5-ium-5-yl)propyl-pentan-3-ylazanium ditetrafluoroborate Traditional Name: 3-(3,8-diazido-6-phenyl-phenanthridin-5-ium-5-yl)propyl-(1-ethylpropyl)ammonium ditetrafluoroborate Formula: C27H30B2F8N8 MolecularWeight: 640.189926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CCC(CC)[NH2+]CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CCC(CC)[NH2+]CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C27H29N8.2BF4/c1-3-20(4-2)30-15-8-16-35-26-18-22(32-34-29)12-14-24(26)23-13-11-21(31-33-28)17-25(23)27(35)19-9-6-5-7-10-19;2*2-1(3,4)5/h5-7,9-14,17-18,20,30H,3-4,8,15-16H2,1-2H3;;/q+1;2*-1/p+1