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

Systemtic Name: (4-methyl-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-(1-methoxyethyl)-3-methyl-2-oxidanyl-butanoate hydroiodide Openeye Name: (7-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-isopropyl-3-methoxy-butanoate hydroiodide CAS Name: 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid (7-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl ester hydroiodide IUPAC Name: (7-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate hydroiodide Traditional Name: 2-hydroxy-2-isopropyl-3-methoxy-butyric acid (7-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl ester hydroiodide Formula: C17H31INO5+ MolecularWeight: 456.33621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30NO5.HI/c1-11(2)17(21,12(3)22-5)16(20)23-10-13-6-8-18(4)9-7-14(19)15(13)18;/h6,11-12,14-15,19,21H,7-10H2,1-5H3;1H/q+1;