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

Systemtic Name: 5-chloranyl-4-propan-2-yloxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine; tetraphenylboranuide Openeye Name: 5-chloro-4-isopropoxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine; tetraphenylboranuide CAS Name: 5-chloro-4-propan-2-yloxy-2,6-bis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]pyrimidine; tetraphenylboranuide IUPAC Name: 5-chloro-4-propan-2-yloxy-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidine; tetraphenylboranuide Traditional Name: 5-chloro-4-isopropoxy-2,6-bis(4-pyrrolidinopyridin-1-ium-1-yl)pyrimidine; tetraphenylboranuide Formula: C73H71B2ClN6O MolecularWeight: 1105.45944

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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.CC(C)OC1=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.CC(C)OC1=NC(=NC(=C1Cl)[N+]2=CC=C(C=C2)N3CCCC3)[N+]4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C25H31ClN6O.2C24H20B/c1-19(2)33-24-22(26)23(31-15-7-20(8-16-31)29-11-3-4-12-29)27-25(28-24)32-17-9-21(10-18-32)30-13-5-6-14-30;2*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/h7-10,15-19H,3-6,11-14H2,1-2H3;2*1-20H/q+2;2*-1