ethyl 1-ethoxy-4-phenylazanyl-pyridin-1-ium-3-carboxylate; tetraphenylboranuide

Systemtic Name: ethyl 1-ethoxy-4-phenylazanyl-pyridin-1-ium-3-carboxylate; tetraphenylboranuide Openeye Name: ethyl 4-anilino-1-ethoxy-pyridin-1-ium-3-carboxylate; tetraphenylboranuide CAS Name: 4-anilino-1-ethoxy-3-pyridin-1-iumcarboxylic acid ethyl ester; tetraphenylboranuide IUPAC Name: ethyl 4-anilino-1-ethoxypyridin-1-ium-3-carboxylate; tetraphenylboranuide Traditional Name: 4-anilino-1-ethoxy-pyridin-1-ium-3-carboxylic acid ethyl ester; tetraphenylboranuide Formula: C40H39BN2O3 MolecularWeight: 606.56026

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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.CCOC(=O)C1=C(C=C[N+](=C1)OCC)NC2=CC=CC=C2

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CCOC(=O)C1=C(C=C[N+](=C1)OCC)NC2=CC=CC=C2

InChI

InChI=1S/C24H20B.C16H18N2O3/c1-5-13-21(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;1-3-20-16(19)14-12-18(21-4-2)11-10-15(14)17-13-8-6-5-7-9-13/h1-20H;5-12H,3-4H2,1-2H3/q-1;/p+1