2-acetyloxy-4-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)benzoic acid

Systemtic Name: 2-acetyloxy-4-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)benzoic acid Openeye Name: 2-acetoxy-4-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)benzoic acid CAS Name: 2-acetyloxy-4-(2-methyl-4,6-diphenyl-1-pyridin-1-iumyl)benzoic acid IUPAC Name: 2-acetyloxy-4-(2-methyl-4,6-diphenylpyridin-1-ium-1-yl)benzoic acid Traditional Name: 2-acetoxy-4-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)benzoic acid Formula: C27H22NO4+ MolecularWeight: 424.46788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=CC(=C(C=C2)C(=O)O)OC(=O)C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=CC(=C(C=C2)C(=O)O)OC(=O)C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H21NO4/c1-18-15-22(20-9-5-3-6-10-20)16-25(21-11-7-4-8-12-21)28(18)23-13-14-24(27(30)31)26(17-23)32-19(2)29/h3-17H,1-2H3/p+1