2-(2-methylpropoxy)-8-[1-[(3-oxidanylpyridin-2-yl)methyl]piperazin-1-ium-1-yl]carbonyl-6,7-dihydro-5H-pyrrolizine-1,3-dione

Systemtic Name: 2-(2-methylpropoxy)-8-[1-[(3-oxidanylpyridin-2-yl)methyl]piperazin-1-ium-1-yl]carbonyl-6,7-dihydro-5H-pyrrolizine-1,3-dione Openeye Name: 8-[1-[(3-hydroxy-2-pyridyl)methyl]piperazin-1-ium-1-carbonyl]-2-isobutoxy-6,7-dihydro-5H-pyrrolizine-1,3-dione CAS Name: 8-[[1-[(3-hydroxy-2-pyridinyl)methyl]-1-piperazin-1-iumyl]-oxomethyl]-2-(2-methylpropoxy)-6,7-dihydro-5H-pyrrolizine-1,3-dione IUPAC Name: 8-[1-[(3-hydroxypyridin-2-yl)methyl]piperazin-1-ium-1-carbonyl]-2-(2-methylpropoxy)-6,7-dihydro-5H-pyrrolizine-1,3-dione Traditional Name: 8-[1-[(3-hydroxy-2-pyridyl)methyl]piperazin-1-ium-1-carbonyl]-2-isobutoxy-pyrrolizidine-1,3-quinone Formula: C22H31N4O5+ MolecularWeight: 431.50534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1C(=O)C2(CCCN2C1=O)C(=O)[N+]3(CCNCC3)CC4=C(C=CC=N4)O

Isomeric SMILES

CC(C)COC1C(=O)C2(CCCN2C1=O)C(=O)[N+]3(CCNCC3)CC4=C(C=CC=N4)O

InChI

InChI=1S/C22H30N4O5/c1-15(2)14-31-18-19(28)22(6-4-10-25(22)20(18)29)21(30)26(11-8-23-9-12-26)13-16-17(27)5-3-7-24-16/h3,5,7,15,18,23H,4,6,8-14H2,1-2H3/p+1