2-piperidin-1-ium-1-ylethyl 2-[(9-methoxy-7-methyl-5-oxidanylidene-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]butanoate chloride

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 2-[(9-methoxy-7-methyl-5-oxidanylidene-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]butanoate chloride Openeye Name: 2-piperidin-1-ium-1-ylethyl 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]butanoate chloride CAS Name: 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g][1]benzopyran-4-yl)oxy]butanoic acid 2-(1-piperidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-piperidin-1-ium-1-ylethyl 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]butanoate chloride Traditional Name: 2-[(5-keto-9-methoxy-7-methyl-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]butyric acid 2-piperidin-1-ium-1-ylethyl ester chloride Formula: C24H36ClNO7 MolecularWeight: 485.99814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC[NH+]1CCCCC1)OC2C3C=COC3C(C4C2C(=O)C=C(O4)C)OC.[Cl-]

Isomeric SMILES

CCC(C(=O)OCC[NH+]1CCCCC1)OC2C3C=COC3C(C4C2C(=O)C=C(O4)C)OC.[Cl-]

InChI

InChI=1S/C24H35NO7.ClH/c1-4-18(24(27)30-13-11-25-9-6-5-7-10-25)32-20-16-8-12-29-21(16)23(28-3)22-19(20)17(26)14-15(2)31-22;/h8,12,14,16,18-23H,4-7,9-11,13H2,1-3H3;1H