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

Systemtic Name: [3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclopropanecarboxylate Openeye Name: [3-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic 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 cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [3-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl ester Formula: C27H37N4O6+ MolecularWeight: 513.60588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)C4CC4

Isomeric SMILES

CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)C4CC4

InChI

InChI=1S/C27H36N4O6/c1-17(2)28-26(33)35-14-21-22(15-36-27(34)29-18(3)4)24(31-12-6-8-23(21)31)20-7-5-11-30(13-20)16-37-25(32)19-9-10-19/h5,7,11,13,17-19H,6,8-10,12,14-16H2,1-4H3,(H-,28,29,33,34)/p+1