2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; 3,3-diphenylpropanoate; iodide

Systemtic Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; 3,3-diphenylpropanoate; iodide Openeye Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; 3,3-diphenylpropanoate; iodide CAS Name: 2-(4,4-dimethyl-1-piperazin-4-iumyl)ethanol; 3,3-diphenylpropanoate; iodide IUPAC Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; 3,3-diphenylpropanoate; iodide Traditional Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)ethanol; 3,3-diphenylpropionate; iodide Formula: C23H32IN2O3- MolecularWeight: 511.41625

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)CCO)C.C1=CC=C(C=C1)C(CC(=O)[O-])C2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)CCO)C.C1=CC=C(C=C1)C(CC(=O)[O-])C2=CC=CC=C2.[I-]

InChI

InChI=1S/C15H14O2.C8H19N2O.HI/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-10(2)6-3-9(4-7-10)5-8-11;/h1-10,14H,11H2,(H,16,17);11H,3-8H2,1-2H3;1H/q;+1;/p-2