(4-methyl-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-(1-hydroxyethyl)-3-methyl-2-oxidanyl-butanoate iodide

Systemtic Name: (4-methyl-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-(1-hydroxyethyl)-3-methyl-2-oxidanyl-butanoate iodide Openeye Name: (7-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate iodide CAS Name: 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid (7-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl ester iodide IUPAC Name: (7-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate iodide Traditional Name: 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butyric acid (7-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl ester iodide Formula: C16H28INO5 MolecularWeight: 441.30169

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)C)O.[I-]

Isomeric SMILES

CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)C)O.[I-]

InChI

InChI=1S/C16H28NO5.HI/c1-10(2)16(21,11(3)18)15(20)22-9-12-5-7-17(4)8-6-13(19)14(12)17;/h5,10-11,13-14,18-19,21H,6-9H2,1-4H3;1H/q+1;/p-1