didecyl-(1-iodanylprop-2-ynyl)-phenethyl-azanium chloride

Systemtic Name: didecyl-(1-iodanylprop-2-ynyl)-phenethyl-azanium chloride Openeye Name: didecyl-(1-iodoprop-2-ynyl)-phenethyl-ammonium chloride CAS Name: didecyl-(1-iodoprop-2-ynyl)-phenethylammonium chloride IUPAC Name: didecyl-(1-iodoprop-2-ynyl)-phenethylazanium chloride Traditional Name: didecyl-(1-iodoprop-2-ynyl)-phenethyl-ammonium chloride Formula: C31H53ClIN MolecularWeight: 602.11669

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](CCCCCCCCCC)(CCC1=CC=CC=C1)C(C#C)I.[Cl-]

Isomeric SMILES

CCCCCCCCCC[N+](CCCCCCCCCC)(CCC1=CC=CC=C1)C(C#C)I.[Cl-]

InChI

InChI=1S/C31H53IN.ClH/c1-4-7-9-11-13-15-17-22-27-33(31(32)6-3,29-26-30-24-20-19-21-25-30)28-23-18-16-14-12-10-8-5-2;/h3,19-21,24-25,31H,4-5,7-18,22-23,26-29H2,1-2H3;1H/q+1;/p-1