diethyl-methyl-(3-oxidanylpropyl)azanium; 2-phenylbutanoate; hydroiodide

Systemtic Name: diethyl-methyl-(3-oxidanylpropyl)azanium; 2-phenylbutanoate; hydroiodide Openeye Name: diethyl-(3-hydroxypropyl)-methyl-ammonium; 2-phenylbutanoate; hydroiodide CAS Name: diethyl-(3-hydroxypropyl)-methylammonium; 2-phenylbutanoate; hydroiodide IUPAC Name: diethyl-(3-hydroxypropyl)-methylazanium; 2-phenylbutanoate; hydroiodide Traditional Name: diethyl-(3-hydroxypropyl)-methyl-ammonium; 2-phenylbutyrate; hydroiodide Formula: C18H32INO3 MolecularWeight: 437.35605

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)[O-].CC[N+](C)(CC)CCCO.I

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)[O-].CC[N+](C)(CC)CCCO.I

InChI

InChI=1S/C10H12O2.C8H20NO.HI/c1-2-9(10(11)12)8-6-4-3-5-7-8;1-4-9(3,5-2)7-6-8-10;/h3-7,9H,2H2,1H3,(H,11,12);10H,4-8H2,1-3H3;1H/q;+1;/p-1