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

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

Systemtic Name:diheptyl-(1-iodanylprop-2-ynyl)-phenethyl-azanium chloride
Openeye Name:diheptyl-(1-iodoprop-2-ynyl)-phenethyl-ammonium chloride
CAS Name:diheptyl-(1-iodoprop-2-ynyl)-phenethylammonium chloride
IUPAC Name:diheptyl-(1-iodoprop-2-ynyl)-phenethylazanium chloride
Traditional Name:diheptyl-(1-iodoprop-2-ynyl)-phenethyl-ammonium chloride
Formula: C25H41ClIN
MolecularWeight: 517.95721
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H41IN.ClH/c1-4-7-9-11-16-21-27(25(26)6-3,22-17-12-10-8-5-2)23-20-24-18-14-13-15-19-24;/h3,13-15,18-19,25H,4-5,7-12,16-17,20-23H2,1-2H3;1H/q+1;/p-1


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