[5-(3-ethanoyl-5-methyl-pyridin-1-ium-1-yl)-4-oxidanyl-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate chloride

Systemtic Name: [5-(3-ethanoyl-5-methyl-pyridin-1-ium-1-yl)-4-oxidanyl-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate chloride Openeye Name: [5-(3-acetyl-5-methyl-pyridin-1-ium-1-yl)-3-benzoyloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl benzoate chloride CAS Name: benzoic acid [5-(3-acetyl-5-methyl-1-pyridin-1-iumyl)-3-benzoyloxy-4-hydroxy-2-oxolanyl]methyl ester chloride IUPAC Name: [5-(3-acetyl-5-methylpyridin-1-ium-1-yl)-3-benzoyloxy-4-hydroxyoxolan-2-yl]methyl benzoate chloride Traditional Name: benzoic acid [5-(3-acetyl-5-methyl-pyridin-1-ium-1-yl)-3-benzoyloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl ester chloride Formula: C27H26ClNO7 MolecularWeight: 511.95084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26NO7.ClH/c1-17-13-21(18(2)29)15-28(14-17)25-23(30)24(35-27(32)20-11-7-4-8-12-20)22(34-25)16-33-26(31)19-9-5-3-6-10-19;/h3-15,22-25,30H,16H2,1-2H3;1H/q+1;/p-1