2-[(2S)-2-cyano-2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanoyl]benzoic acid

Systemtic Name: 2-[(2S)-2-cyano-2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanoyl]benzoic acid Openeye Name: 2-[(2S)-2-cyano-2-(2,4,6-triphenylpyridin-1-ium-1-yl)acetyl]benzoic acid CAS Name: 2-[(2S)-2-cyano-1-oxo-2-(2,4,6-triphenyl-1-pyridin-1-iumyl)ethyl]benzoic acid IUPAC Name: 2-[(2S)-2-cyano-2-(2,4,6-triphenylpyridin-1-ium-1-yl)acetyl]benzoic acid Traditional Name: 2-[(2S)-2-cyano-2-(2,4,6-triphenylpyridin-1-ium-1-yl)acetyl]benzoic acid Formula: C33H23N2O3+ MolecularWeight: 495.54732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C(C#N)C(=O)C4=CC=CC=C4C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)[C@@H](C#N)C(=O)C4=CC=CC=C4C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C33H22N2O3/c34-22-31(32(36)27-18-10-11-19-28(27)33(37)38)35-29(24-14-6-2-7-15-24)20-26(23-12-4-1-5-13-23)21-30(35)25-16-8-3-9-17-25/h1-21,31H/p+1/t31-/m0/s1