5-chloranyl-4-methoxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine; tetraphenylboranuide

Systemtic Name: 5-chloranyl-4-methoxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine; tetraphenylboranuide Openeye Name: 5-chloro-4-methoxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine; tetraphenylboranuide CAS Name: 5-chloro-4-methoxy-2,6-bis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]pyrimidine; tetraphenylboranuide IUPAC Name: 5-chloro-4-methoxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine; tetraphenylboranuide Traditional Name: 5-chloro-4-methoxy-2,6-bis(4-pyrrolidinopyridin-1-ium-1-yl)pyrimidine; tetraphenylboranuide Formula: C71H67B2ClN6O MolecularWeight: 1077.40628

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COC1=NC(=NC(=C1Cl)[N+]2=CC=C(C=C2)N3CCCC3)[N+]4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COC1=NC(=NC(=C1Cl)[N+]2=CC=C(C=C2)N3CCCC3)[N+]4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/2C24H20B.C23H27ClN6O/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-31-22-20(24)21(29-14-6-18(7-15-29)27-10-2-3-11-27)25-23(26-22)30-16-8-19(9-17-30)28-12-4-5-13-28/h2*1-20H;6-9,14-17H,2-5,10-13H2,1H3/q2*-1;+2