[7-(1-methylpyridin-1-ium-4-yl)-1-(propylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-2-yl]methyl N-propylcarbamate iodide

Systemtic Name: [7-(1-methylpyridin-1-ium-4-yl)-1-(propylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-2-yl]methyl N-propylcarbamate iodide Openeye Name: [7-(1-methylpyridin-1-ium-4-yl)-1-(propylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-2-yl]methyl N-propylcarbamate iodide CAS Name: N-propylcarbamic acid [7-(1-methyl-4-pyridin-1-iumyl)-1-[[oxo(propylamino)methoxy]methyl]-6,7-dihydro-5H-pyrrolizin-2-yl]methyl ester iodide IUPAC Name: [7-(1-methylpyridin-1-ium-4-yl)-1-(propylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-2-yl]methyl N-propylcarbamate iodide Traditional Name: N-propylcarbamic acid [7-(1-methylpyridin-1-ium-4-yl)-1-(propylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-2-yl]methyl ester iodide Formula: C23H33IN4O4 MolecularWeight: 556.43699

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OCC1=CN2CCC(C2=C1COC(=O)NCCC)C3=CC=[N+](C=C3)C.[I-]

Isomeric SMILES

CCCNC(=O)OCC1=CN2CCC(C2=C1COC(=O)NCCC)C3=CC=[N+](C=C3)C.[I-]

InChI

InChI=1S/C23H32N4O4.HI/c1-4-9-24-22(28)30-15-18-14-27-13-8-19(17-6-11-26(3)12-7-17)21(27)20(18)16-31-23(29)25-10-5-2;/h6-7,11-12,14,19H,4-5,8-10,13,15-16H2,1-3H3,(H-,24,25,28,29);1H