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

Systemtic Name: [3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl hexanoate Openeye Name: [3-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl hexanoate CAS Name: hexanoic 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: [3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl hexanoate Traditional Name: hexanoic acid [3-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl ester Formula: C29H43N4O6+ MolecularWeight: 543.67492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N4O6/c1-6-7-8-13-26(34)39-19-32-14-9-11-22(16-32)27-24(18-38-29(36)31-21(4)5)23(25-12-10-15-33(25)27)17-37-28(35)30-20(2)3/h9,11,14,16,20-21H,6-8,10,12-13,15,17-19H2,1-5H3,(H-,30,31,35,36)/p+1