[2-methyl-1-(phenylmethyl)pyridin-1-ium-4-yl] 4-(5-methyl-1,3,2-dioxaborinan-2-yl)benzoate

Systemtic Name: [2-methyl-1-(phenylmethyl)pyridin-1-ium-4-yl] 4-(5-methyl-1,3,2-dioxaborinan-2-yl)benzoate Openeye Name: (1-benzyl-2-methyl-pyridin-1-ium-4-yl) 4-(5-methyl-1,3,2-dioxaborinan-2-yl)benzoate CAS Name: 4-(5-methyl-1,3,2-dioxaborinan-2-yl)benzoic acid [2-methyl-1-(phenylmethyl)-4-pyridin-1-iumyl] ester IUPAC Name: (1-benzyl-2-methylpyridin-1-ium-4-yl) 4-(5-methyl-1,3,2-dioxaborinan-2-yl)benzoate Traditional Name: 4-(5-methyl-1,3,2-dioxaborinan-2-yl)benzoic acid (1-benzyl-2-methyl-pyridin-1-ium-4-yl) ester Formula: C24H25BNO4+ MolecularWeight: 402.2706

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)C)C2=CC=C(C=C2)C(=O)OC3=CC(=[N+](C=C3)CC4=CC=CC=C4)C

Isomeric SMILES

B1(OCC(CO1)C)C2=CC=C(C=C2)C(=O)OC3=CC(=[N+](C=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H25BNO4/c1-18-16-28-25(29-17-18)22-10-8-21(9-11-22)24(27)30-23-12-13-26(19(2)14-23)15-20-6-4-3-5-7-20/h3-14,18H,15-17H2,1-2H3/q+1