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didecyl-(1-iodanylprop-2-ynyl)-(phenylmethyl)azanium

didecyl-(1-iodanylprop-2-ynyl)-(phenylmethyl)azanium

Systemtic Name:didecyl-(1-iodanylprop-2-ynyl)-(phenylmethyl)azanium
Openeye Name:benzyl-didecyl-(1-iodoprop-2-ynyl)ammonium
CAS Name:didecyl-(1-iodoprop-2-ynyl)-(phenylmethyl)ammonium
IUPAC Name:benzyl-didecyl-(1-iodoprop-2-ynyl)azanium
Traditional Name:benzyl-didecyl-(1-iodoprop-2-ynyl)ammonium
Formula: C30H51IN+
MolecularWeight: 552.63711
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](CCCCCCCCCC)(CC1=CC=CC=C1)C(C#C)I


Isomeric SMILES

CCCCCCCCCC[N+](CCCCCCCCCC)(CC1=CC=CC=C1)C(C#C)I


InChI

InChI=1S/C30H51IN/c1-4-7-9-11-13-15-17-22-26-32(30(31)6-3,28-29-24-20-19-21-25-29)27-23-18-16-14-12-10-8-5-2/h3,19-21,24-25,30H,4-5,7-18,22-23,26-28H2,1-2H3/q+1


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