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

Systemtic Name: [4-[1,2-bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclohexanecarboxylate Openeye Name: [4-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic 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 cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-[1,2-bis(isopropylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl ester Formula: C30H43N4O6+ MolecularWeight: 555.68562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=[N+](C=C3)COC(=O)C4CCCCC4

Isomeric SMILES

CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=[N+](C=C3)COC(=O)C4CCCCC4

InChI

InChI=1S/C30H42N4O6/c1-20(2)31-29(36)38-17-24-25(18-39-30(37)32-21(3)4)27(34-14-8-11-26(24)34)22-12-15-33(16-13-22)19-40-28(35)23-9-6-5-7-10-23/h12-13,15-16,20-21,23H,5-11,14,17-19H2,1-4H3,(H-,31,32,36,37)/p+1