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

Systemtic Name: [5-(3-ethanoyl-5-propyl-pyridin-1-ium-1-yl)-4-oxidanyl-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate chloride Openeye Name: [5-(3-acetyl-5-propyl-pyridin-1-ium-1-yl)-3-benzoyloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl benzoate chloride CAS Name: benzoic acid [5-(3-acetyl-5-propyl-1-pyridin-1-iumyl)-3-benzoyloxy-4-hydroxy-2-oxolanyl]methyl ester chloride IUPAC Name: [5-(3-acetyl-5-propylpyridin-1-ium-1-yl)-3-benzoyloxy-4-hydroxyoxolan-2-yl]methyl benzoate chloride Traditional Name: benzoic acid [5-(3-acetyl-5-propyl-pyridin-1-ium-1-yl)-3-benzoyloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl ester chloride Formula: C29H30ClNO7 MolecularWeight: 540.004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC1=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/C29H30NO7.ClH/c1-3-10-20-15-23(19(2)31)17-30(16-20)27-25(32)26(37-29(34)22-13-8-5-9-14-22)24(36-27)18-35-28(33)21-11-6-4-7-12-21;/h4-9,11-17,24-27,32H,3,10,18H2,1-2H3;1H/q+1;/p-1