[4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate iodide

Systemtic Name: [4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate iodide Openeye Name: [4-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate iodide CAS Name: 2,2-dimethylpropanoic acid [4-[1,2-bis[[oxo-(propan-2-ylamino)methoxy]methyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-1-pyridin-1-iumyl]methyl ester iodide IUPAC Name: [4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate iodide Traditional Name: 2,2-dimethylpropionic acid [4-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl ester iodide Formula: C28H41IN4O6 MolecularWeight: 656.55281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=[N+](C=C3)COC(=O)C(C)(C)C.[I-]

Isomeric SMILES

CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=[N+](C=C3)COC(=O)C(C)(C)C.[I-]

InChI

InChI=1S/C28H40N4O6.HI/c1-18(2)29-26(34)36-15-21-22(16-37-27(35)30-19(3)4)24(32-12-8-9-23(21)32)20-10-13-31(14-11-20)17-38-25(33)28(5,6)7;/h10-11,13-14,18-19H,8-9,12,15-17H2,1-7H3,(H-,29,30,34,35);1H