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1-hexadecyl-1-(3-iodanylprop-2-ynyl)azepan-1-ium

1-hexadecyl-1-(3-iodanylprop-2-ynyl)azepan-1-ium

Systemtic Name:1-hexadecyl-1-(3-iodanylprop-2-ynyl)azepan-1-ium
Openeye Name:1-hexadecyl-1-(3-iodoprop-2-ynyl)azepan-1-ium
CAS Name:1-hexadecyl-1-(3-iodoprop-2-ynyl)azepan-1-ium
IUPAC Name:1-hexadecyl-1-(3-iodoprop-2-ynyl)azepan-1-ium
Traditional Name:1-cetyl-1-(3-iodoprop-2-ynyl)azepan-1-ium
Formula: C25H47IN+
MolecularWeight: 488.55185
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCCCCC1)CC#CI


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCCCCC1)CC#CI


InChI

InChI=1S/C25H47IN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-27(25-20-21-26)23-18-15-16-19-24-27/h2-19,22-25H2,1H3/q+1


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