cyano(triphenyl)boranuide; 11-[1-(11-oxidanylundecyl)-4-pyridin-1-ium-4-yl-2H-pyridin-1-ium-1-yl]undecan-1-ol

Systemtic Name: cyano(triphenyl)boranuide; 11-[1-(11-oxidanylundecyl)-4-pyridin-1-ium-4-yl-2H-pyridin-1-ium-1-yl]undecan-1-ol Openeye Name: cyano(triphenyl)boranuide; 11-[1-(11-hydroxyundecyl)-4-pyridin-1-ium-4-yl-2H-pyridin-1-ium-1-yl]undecan-1-ol CAS Name: cyano(triphenyl)boranuide; 11-[1-(11-hydroxyundecyl)-4-(4-pyridin-1-iumyl)-2H-pyridin-1-ium-1-yl]-1-undecanol IUPAC Name: cyano(triphenyl)boranuide; 11-[1-(11-hydroxyundecyl)-4-pyridin-1-ium-4-yl-2H-pyridin-1-ium-1-yl]undecan-1-ol Traditional Name: cyano(triphenyl)boranuide; 11-[1-(11-hydroxyundecyl)-4-pyridin-1-ium-4-yl-2H-pyridin-1-ium-1-yl]undecan-1-ol Formula: C70H86B2N4O2 MolecularWeight: 1037.07944

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C#N)(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[B-](C#N)(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1C=C(C=C[N+]1(CCCCCCCCCCCO)CCCCCCCCCCCO)C2=CC=[NH+]C=C2

Isomeric SMILES

[B-](C#N)(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[B-](C#N)(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1C=C(C=C[N+]1(CCCCCCCCCCCO)CCCCCCCCCCCO)C2=CC=[NH+]C=C2

InChI

InChI=1S/C32H55N2O2.2C19H15BN/c35-29-17-13-9-5-1-3-7-11-15-25-34(26-16-12-8-4-2-6-10-14-18-30-36)27-21-32(22-28-34)31-19-23-33-24-20-31;2*21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h19-24,27,35-36H,1-18,25-26,28-30H2;2*1-15H/q+1;2*-1/p+1