(2-methyl-4,5-diphenacyl-pyridin-1-ium-3-yl) benzoate bromide

Systemtic Name: (2-methyl-4,5-diphenacyl-pyridin-1-ium-3-yl) benzoate bromide Openeye Name: (2-methyl-4,5-diphenacyl-pyridin-1-ium-3-yl) benzoate bromide CAS Name: benzoic acid (2-methyl-4,5-diphenacyl-3-pyridin-1-iumyl) ester bromide IUPAC Name: (2-methyl-4,5-diphenacylpyridin-1-ium-3-yl) benzoate bromide Traditional Name: benzoic acid (2-methyl-4,5-diphenacyl-pyridin-1-ium-3-yl) ester bromide Formula: C29H24BrNO4 MolecularWeight: 530.40916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=C1OC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3)CC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=[NH+]C=C(C(=C1OC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3)CC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C29H23NO4.BrH/c1-20-28(34-29(33)23-15-9-4-10-16-23)25(18-27(32)22-13-7-3-8-14-22)24(19-30-20)17-26(31)21-11-5-2-6-12-21;/h2-16,19H,17-18H2,1H3;1H