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

Systemtic Name: 5-chloranyl-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-amine; tetraphenylboranuide Openeye Name: 5-chloro-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-amine; tetraphenylboranuide CAS Name: 5-chloro-2,6-bis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]-4-pyrimidinamine; tetraphenylboranuide IUPAC Name: 5-chloro-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-amine; tetraphenylboranuide Traditional Name: [5-chloro-2,6-bis(4-pyrrolidinopyridin-1-ium-1-yl)pyrimidin-4-yl]amine; tetraphenylboranuide Formula: C70H66B2ClN7 MolecularWeight: 1062.39494

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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.C1CCN(C1)C2=CC=[N+](C=C2)C3=C(C(=NC(=N3)[N+]4=CC=C(C=C4)N5CCCC5)N)Cl

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.C1CCN(C1)C2=CC=[N+](C=C2)C3=C(C(=NC(=N3)[N+]4=CC=C(C=C4)N5CCCC5)N)Cl

InChI

InChI=1S/2C24H20B.C22H26ClN7/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;23-19-20(24)25-22(30-15-7-18(8-16-30)28-11-3-4-12-28)26-21(19)29-13-5-17(6-14-29)27-9-1-2-10-27/h2*1-20H;5-8,13-16H,1-4,9-12H2,(H2,24,25,26)/q2*-1;+2