[6-(2-methylpropoxy)-5,7-bis(oxidanylidene)-2,3-dihydro-1H-pyrrolizin-8-yl]methyl 1-pyridin-2-ylpiperazin-1-ium-1-carboxylate

Systemtic Name: [6-(2-methylpropoxy)-5,7-bis(oxidanylidene)-2,3-dihydro-1H-pyrrolizin-8-yl]methyl 1-pyridin-2-ylpiperazin-1-ium-1-carboxylate Openeye Name: (6-isobutoxy-5,7-dioxo-2,3-dihydro-1H-pyrrolizin-8-yl)methyl 1-(2-pyridyl)piperazin-1-ium-1-carboxylate CAS Name: 1-(2-pyridinyl)-1-piperazin-1-iumcarboxylic acid [6-(2-methylpropoxy)-5,7-dioxo-2,3-dihydro-1H-pyrrolizin-8-yl]methyl ester IUPAC Name: [6-(2-methylpropoxy)-5,7-dioxo-2,3-dihydro-1H-pyrrolizin-8-yl]methyl 1-pyridin-2-ylpiperazin-1-ium-1-carboxylate Traditional Name: 1-(2-pyridyl)piperazin-1-ium-1-carboxylic acid (2-isobutoxy-1,3-diketo-pyrrolizidin-8-yl)methyl ester Formula: C22H31N4O5+ MolecularWeight: 431.50534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1C(=O)C2(CCCN2C1=O)COC(=O)[N+]3(CCNCC3)C4=CC=CC=N4

Isomeric SMILES

CC(C)COC1C(=O)C2(CCCN2C1=O)COC(=O)[N+]3(CCNCC3)C4=CC=CC=N4

InChI

InChI=1S/C22H31N4O5/c1-16(2)14-30-18-19(27)22(7-5-11-25(22)20(18)28)15-31-21(29)26(12-9-23-10-13-26)17-6-3-4-8-24-17/h3-4,6,8,16,18,23H,5,7,9-15H2,1-2H3/q+1