3,3-diphenylpropanoate; 2-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)ethanol; iodide

Systemtic Name: 3,3-diphenylpropanoate; 2-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)ethanol; iodide Openeye Name: 3,3-diphenylpropanoate; 2-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)ethanol; iodide CAS Name: 3,3-diphenylpropanoate; 2-(4-ethyl-4-methyl-1-piperazin-4-iumyl)ethanol; iodide IUPAC Name: 3,3-diphenylpropanoate; 2-(4-ethyl-4-methylpiperazin-4-ium-1-yl)ethanol; iodide Traditional Name: 3,3-diphenylpropionate; 2-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)ethanol; iodide Formula: C24H34IN2O3- MolecularWeight: 525.44283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14O2.C9H21N2O.HI/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-3-11(2)7-4-10(5-8-11)6-9-12;/h1-10,14H,11H2,(H,16,17);12H,3-9H2,1-2H3;1H/q;+1;/p-2