[5-chloranyl-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]-phenyl-azanide; tetraphenylboranuide

Systemtic Name: [5-chloranyl-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]-phenyl-azanide; tetraphenylboranuide Openeye Name: [5-chloro-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]-phenyl-azanide; tetraphenylboranuide CAS Name: [5-chloro-2,6-bis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]-4-pyrimidinyl]-phenylazanide; tetraphenylboranuide IUPAC Name: [5-chloro-2,6-bis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]-phenylazanide; tetraphenylboranuide Traditional Name: [5-chloro-2,6-bis(4-pyrrolidinopyridin-1-ium-1-yl)pyrimidin-4-yl]-phenyl-azanide; tetraphenylboranuide Formula: C52H49BClN7 MolecularWeight: 818.25636

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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.C1CCN(C1)C2=CC=[N+](C=C2)C3=NC(=NC(=C3Cl)[N-]C4=CC=CC=C4)[N+]5=CC=C(C=C5)N6CCCC6

Isomeric SMILES

[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=NC(=NC(=C3Cl)[N-]C4=CC=CC=C4)[N+]5=CC=C(C=C5)N6CCCC6

InChI

InChI=1S/C28H29ClN7.C24H20B/c29-25-26(30-22-8-2-1-3-9-22)31-28(36-20-12-24(13-21-36)34-16-6-7-17-34)32-27(25)35-18-10-23(11-19-35)33-14-4-5-15-33;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/h1-3,8-13,18-21H,4-7,14-17H2;1-20H/q+1;-1