N-(3-hexanoyl-3,4,4-trimethyl-piperazin-4-ium-2-yl)-N-oxidanyl-methanamide iodide

Systemtic Name: N-(3-hexanoyl-3,4,4-trimethyl-piperazin-4-ium-2-yl)-N-oxidanyl-methanamide iodide Openeye Name: N-(3-hexanoyl-3,4,4-trimethyl-piperazin-4-ium-2-yl)-N-hydroxy-formamide iodide CAS Name: N-hydroxy-N-[3,4,4-trimethyl-3-(1-oxohexyl)-2-piperazin-4-iumyl]formamide iodide IUPAC Name: N-(3-hexanoyl-3,4,4-trimethylpiperazin-4-ium-2-yl)-N-hydroxyformamide iodide Traditional Name: N-(3-caproyl-3,4,4-trimethyl-piperazin-4-ium-2-yl)-N-hydroxy-formamide iodide Formula: C14H28IN3O3 MolecularWeight: 413.29489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1(C(NCC[N+]1(C)C)N(C=O)O)C.[I-]

Isomeric SMILES

CCCCCC(=O)C1(C(NCC[N+]1(C)C)N(C=O)O)C.[I-]

InChI

InChI=1S/C14H28N3O3.HI/c1-5-6-7-8-12(19)14(2)13(16(20)11-18)15-9-10-17(14,3)4;/h11,13,15,20H,5-10H2,1-4H3;1H/q+1;/p-1