2-(2-methylpropoxy)-8-(1-pyridin-2-ylpiperazin-1-ium-1-yl)carbonyl-6,7-dihydro-5H-pyrrolizine-1,3-dione

Systemtic Name: 2-(2-methylpropoxy)-8-(1-pyridin-2-ylpiperazin-1-ium-1-yl)carbonyl-6,7-dihydro-5H-pyrrolizine-1,3-dione Openeye Name: 2-isobutoxy-8-[1-(2-pyridyl)piperazin-1-ium-1-carbonyl]-6,7-dihydro-5H-pyrrolizine-1,3-dione CAS Name: 2-(2-methylpropoxy)-8-[oxo-[1-(2-pyridinyl)-1-piperazin-1-iumyl]methyl]-6,7-dihydro-5H-pyrrolizine-1,3-dione IUPAC Name: 2-(2-methylpropoxy)-8-(1-pyridin-2-ylpiperazin-1-ium-1-carbonyl)-6,7-dihydro-5H-pyrrolizine-1,3-dione Traditional Name: 2-isobutoxy-8-[1-(2-pyridyl)piperazin-1-ium-1-carbonyl]pyrrolizidine-1,3-quinone Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N4O4/c1-15(2)14-29-17-18(26)21(7-5-11-24(21)19(17)27)20(28)25(12-9-22-10-13-25)16-6-3-4-8-23-16/h3-4,6,8,15,17,22H,5,7,9-14H2,1-2H3/q+1