2-carboxyethyl-[7-(diethylamino)phenoxazin-3-ylidene]-methyl-azanium; tetraphenylboranuide

Systemtic Name: 2-carboxyethyl-[7-(diethylamino)phenoxazin-3-ylidene]-methyl-azanium; tetraphenylboranuide Openeye Name: 2-carboxyethyl-[7-(diethylamino)phenoxazin-3-ylidene]-methyl-ammonium; tetraphenylboranuide CAS Name: 2-carboxyethyl-[7-(diethylamino)-3-phenoxazinylidene]-methylammonium; tetraphenylboranuide IUPAC Name: 2-carboxyethyl-[7-(diethylamino)phenoxazin-3-ylidene]-methylazanium; tetraphenylboranuide Traditional Name: 2-carboxyethyl-[7-(diethylamino)phenoxazin-3-ylidene]-methyl-ammonium; tetraphenylboranuide Formula: C44H44BN3O3 MolecularWeight: 673.64946

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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.CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)CCC(=O)O)C=C3O2

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)CCC(=O)O)C=C3O2

InChI

InChI=1S/C24H20B.C20H23N3O3/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;1-4-23(5-2)15-7-9-17-19(13-15)26-18-12-14(6-8-16(18)21-17)22(3)11-10-20(24)25/h1-20H;6-9,12-13H,4-5,10-11H2,1-3H3/q-1;/p+1