2-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanoylamino]ethanoate

Systemtic Name: 2-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanoylamino]ethanoate Openeye Name: 2-[[2-(2,4,6-triphenylpyridin-1-ium-1-yl)acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-(2,4,6-triphenyl-1-pyridin-1-iumyl)ethyl]amino]acetate IUPAC Name: 2-[[2-(2,4,6-triphenylpyridin-1-ium-1-yl)acetyl]amino]acetate Traditional Name: 2-[[2-(2,4,6-triphenylpyridin-1-ium-1-yl)acetyl]amino]acetate Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CC(=O)NCC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CC(=O)NCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H22N2O3/c30-26(28-18-27(31)32)19-29-24(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-25(29)22-14-8-3-9-15-22/h1-17H,18-19H2,(H-,28,30,31,32)