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

Systemtic Name: iodanium [3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate Openeye Name: iodonium [3-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate CAS Name: iodonium pentanoic acid [3-[1,2-bis[[oxo-(propan-2-ylamino)methoxy]methyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-1-pyridin-1-iumyl]methyl ester IUPAC Name: iodanium [3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate Traditional Name: iodonium valeric acid [3-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl ester Formula: C28H43IN4O6+2 MolecularWeight: 658.56869

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[IH2+]

Isomeric SMILES

CCCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[IH2+]

InChI

InChI=1S/C28H40N4O6.H2I/c1-6-7-12-25(33)38-18-31-13-8-10-21(15-31)26-23(17-37-28(35)30-20(4)5)22(24-11-9-14-32(24)26)16-36-27(34)29-19(2)3;/h8,10,13,15,19-20H,6-7,9,11-12,14,16-18H2,1-5H3,(H-,29,30,34,35);1H2/q;+1/p+1