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

Systemtic Name: [3-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-phenylethanoate Openeye Name: [3-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-phenylacetate CAS Name: 2-phenylacetic 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 2-phenylacetate Traditional Name: 2-phenylacetic acid [3-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl ester Formula: C31H39N4O6+ MolecularWeight: 563.66456

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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)CC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C31H38N4O6/c1-21(2)32-30(37)39-18-25-26(19-40-31(38)33-22(3)4)29(35-15-9-13-27(25)35)24-12-8-14-34(17-24)20-41-28(36)16-23-10-6-5-7-11-23/h5-8,10-12,14,17,21-22H,9,13,15-16,18-20H2,1-4H3,(H-,32,33,37,38)/p+1