2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; 2-pentylheptanoate; iodide

Systemtic Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; 2-pentylheptanoate; iodide Openeye Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; 2-pentylheptanoate; iodide CAS Name: 2-(4,4-dimethyl-1-piperazin-4-iumyl)ethanol; 2-pentylheptanoate; iodide IUPAC Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; 2-pentylheptanoate; iodide Traditional Name: 2-amylenanthate; 2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; iodide Formula: C20H42IN2O3- MolecularWeight: 485.46355

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)C(=O)[O-].C[N+]1(CCN(CC1)CCO)C.[I-]

Isomeric SMILES

CCCCCC(CCCCC)C(=O)[O-].C[N+]1(CCN(CC1)CCO)C.[I-]

InChI

InChI=1S/C12H24O2.C8H19N2O.HI/c1-3-5-7-9-11(12(13)14)10-8-6-4-2;1-10(2)6-3-9(4-7-10)5-8-11;/h11H,3-10H2,1-2H3,(H,13,14);11H,3-8H2,1-2H3;1H/q;+1;/p-2