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

Systemtic Name: [3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3-methylbutanoate Openeye Name: [3-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3-methylbutanoate CAS Name: 3-methylbutanoic 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 3-methylbutanoate Traditional Name: 3-methylbutyric acid [3-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl ester Formula: C28H41N4O6+ MolecularWeight: 529.64834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O6/c1-18(2)13-25(33)38-17-31-11-7-9-21(14-31)26-23(16-37-28(35)30-20(5)6)22(24-10-8-12-32(24)26)15-36-27(34)29-19(3)4/h7,9,11,14,18-20H,8,10,12-13,15-17H2,1-6H3,(H-,29,30,34,35)/p+1