bis[[4-(2,3-dihydro-1H-perimidin-2-yl)phenyl]methyl]azanium hexafluorophosphate

Systemtic Name: bis[[4-(2,3-dihydro-1H-perimidin-2-yl)phenyl]methyl]azanium hexafluorophosphate Openeye Name: bis[[4-(2,3-dihydro-1H-perimidin-2-yl)phenyl]methyl]ammonium hexafluorophosphate CAS Name: bis[[4-(2,3-dihydro-1H-perimidin-2-yl)phenyl]methyl]ammonium hexafluorophosphate IUPAC Name: bis[[4-(2,3-dihydro-1H-perimidin-2-yl)phenyl]methyl]azanium hexafluorophosphate Traditional Name: bis[4-(2,3-dihydro-1H-perimidin-2-yl)benzyl]ammonium hexafluorophosphate Formula: C36H32F6N5P MolecularWeight: 679.63696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=C(C=C4)C[NH2+]CC5=CC=C(C=C5)C6NC7=CC=CC8=C7C(=CC=C8)N6.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=C(C=C4)C[NH2+]CC5=CC=C(C=C5)C6NC7=CC=CC8=C7C(=CC=C8)N6.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C36H31N5.F6P/c1-5-25-6-2-10-30-33(25)29(9-1)38-35(39-30)27-17-13-23(14-18-27)21-37-22-24-15-19-28(20-16-24)36-40-31-11-3-7-26-8-4-12-32(41-36)34(26)31;1-7(2,3,4,5)6/h1-20,35-41H,21-22H2;/q;-1/p+1