1-[3-(1-methylazepan-1-ium-1-yl)-2-oxidanyl-propyl]pyrrolidin-2-one iodide

Systemtic Name: 1-[3-(1-methylazepan-1-ium-1-yl)-2-oxidanyl-propyl]pyrrolidin-2-one iodide Openeye Name: 1-[2-hydroxy-3-(1-methylazepan-1-ium-1-yl)propyl]pyrrolidin-2-one iodide CAS Name: 1-[2-hydroxy-3-(1-methyl-1-azepan-1-iumyl)propyl]-2-pyrrolidinone iodide IUPAC Name: 1-[2-hydroxy-3-(1-methylazepan-1-ium-1-yl)propyl]pyrrolidin-2-one iodide Traditional Name: 1-[2-hydroxy-3-(1-methylazepan-1-ium-1-yl)propyl]-2-pyrrolidone iodide Formula: C14H27IN2O2 MolecularWeight: 382.28085

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CC(CN2CCCC2=O)O.[I-]

Isomeric SMILES

C[N+]1(CCCCCC1)CC(CN2CCCC2=O)O.[I-]

InChI

InChI=1S/C14H27N2O2.HI/c1-16(9-4-2-3-5-10-16)12-13(17)11-15-8-6-7-14(15)18;/h13,17H,2-12H2,1H3;1H/q+1;/p-1