[5-(3-aminocarbonyl-5-methyl-pyridin-1-ium-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate bromide

Systemtic Name: [5-(3-aminocarbonyl-5-methyl-pyridin-1-ium-1-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate bromide Openeye Name: [3,4-dibenzoyloxy-5-(3-carbamoyl-5-methyl-pyridin-1-ium-1-yl)tetrahydrofuran-2-yl]methyl benzoate bromide CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(3-carbamoyl-5-methyl-1-pyridin-1-iumyl)-2-oxolanyl]methyl ester bromide IUPAC Name: [3,4-dibenzoyloxy-5-(3-carbamoyl-5-methylpyridin-1-ium-1-yl)oxolan-2-yl]methyl benzoate bromide Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-(3-carbamoyl-5-methyl-pyridin-1-ium-1-yl)tetrahydrofuran-2-yl]methyl ester bromide Formula: C33H29BrN2O8 MolecularWeight: 661.49596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC(=C1)C(=O)N)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=C[N+](=CC(=C1)C(=O)N)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C33H28N2O8.BrH/c1-21-17-25(29(34)36)19-35(18-21)30-28(43-33(39)24-15-9-4-10-16-24)27(42-32(38)23-13-7-3-8-14-23)26(41-30)20-40-31(37)22-11-5-2-6-12-22;/h2-19,26-28,30H,20H2,1H3,(H-,34,36);1H