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

Systemtic Name: [4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl propanoate Openeye Name: [4-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl propanoate CAS Name: propanoic acid [4-[1,2-bis[[oxo-(propan-2-ylamino)methoxy]methyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-1-pyridin-1-iumyl]methyl ester IUPAC Name: [4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl propanoate Traditional Name: propionic acid [4-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl ester Formula: C26H37N4O6+ MolecularWeight: 501.59518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O6/c1-6-23(31)36-16-29-12-9-19(10-13-29)24-21(15-35-26(33)28-18(4)5)20(22-8-7-11-30(22)24)14-34-25(32)27-17(2)3/h9-10,12-13,17-18H,6-8,11,14-16H2,1-5H3,(H-,27,28,32,33)/p+1