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

Systemtic Name: [4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate iodide Openeye Name: [4-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate iodide CAS Name: 2-methylpropanoic 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-methylpropanoate iodide Traditional Name: 2-methylpropionic acid [4-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl ester iodide Formula: C27H39IN4O6 MolecularWeight: 642.52623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]

Isomeric SMILES

CC(C)C(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]

InChI

InChI=1S/C27H38N4O6.HI/c1-17(2)25(32)37-16-30-12-9-20(10-13-30)24-22(15-36-27(34)29-19(5)6)21(23-8-7-11-31(23)24)14-35-26(33)28-18(3)4;/h9-10,12-13,17-19H,7-8,11,14-16H2,1-6H3,(H-,28,29,33,34);1H