[3-[6,7-bis(propylcarbamoyloxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]pyridin-1-ium-1-yl]methyl propanoate

Systemtic Name: [3-[6,7-bis(propylcarbamoyloxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]pyridin-1-ium-1-yl]methyl propanoate Openeye Name: [3-[6,7-bis(propylcarbamoyloxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]pyridin-1-ium-1-yl]methyl propanoate CAS Name: propanoic acid [3-[6,7-bis[[oxo(propylamino)methoxy]methyl]-2,3-dihydro-1H-pyrrolizin-1-yl]-1-pyridin-1-iumyl]methyl ester IUPAC Name: [3-[6,7-bis(propylcarbamoyloxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]pyridin-1-ium-1-yl]methyl propanoate Traditional Name: propionic acid [3-[6,7-bis(propylcarbamoyloxymethyl)-2,3-dihydro-1H-pyrrolizin-1-yl]pyridin-1-ium-1-yl]methyl ester Formula: C26H37N4O6+ MolecularWeight: 501.59518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O6/c1-4-10-27-25(32)34-16-20-15-30-13-9-21(24(30)22(20)17-35-26(33)28-11-5-2)19-8-7-12-29(14-19)18-36-23(31)6-3/h7-8,12,14-15,21H,4-6,9-11,13,16-18H2,1-3H3,(H-,27,28,32,33)/p+1