didodecyl-(1-iodanylprop-2-ynyl)-phenethyl-azanium

Systemtic Name: didodecyl-(1-iodanylprop-2-ynyl)-phenethyl-azanium Openeye Name: didodecyl-(1-iodoprop-2-ynyl)-phenethyl-ammonium CAS Name: didodecyl-(1-iodoprop-2-ynyl)-phenethylammonium IUPAC Name: didodecyl-(1-iodoprop-2-ynyl)-phenethylazanium Traditional Name: 1-iodoprop-2-ynyl-dilauryl-phenethyl-ammonium Formula: C35H61IN+ MolecularWeight: 622.77001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCC1=CC=CC=C1)C(C#C)I

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCC1=CC=CC=C1)C(C#C)I

InChI

InChI=1S/C35H61IN/c1-4-7-9-11-13-15-17-19-21-26-31-37(35(36)6-3,33-30-34-28-24-23-25-29-34)32-27-22-20-18-16-14-12-10-8-5-2/h3,23-25,28-29,35H,4-5,7-22,26-27,30-33H2,1-2H3/q+1